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Prenol lipids

Synthesized from the 5-carbon precursors isopentenyl diphosphate and dimethylallyl diphosphate; includes the carotenoids, which are precursors of vitamin A and also possess antioxidant effects.
Monoterpenoids (552)
Triterpenoids (41)
Diterpenoids (31)
Quinone and hydroquinone lipids (21)
Sesquiterpenoids (12)
Terpene lactones (7)

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1 – 15 of 332 results
1

(+/-)-Camphor-10-sulfonic acid, 98%

CAS: 8-2-5872 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00074827 InChI Key: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonym: reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid PubChem CID: 18462 ChEBI: CHEBI:55379 IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

PubChem CID 18462
CAS 8-2-5872
Molecular Weight (g/mol) 232.29
ChEBI CHEBI:55379
MDL Number MFCD00074827
SMILES CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
Synonym reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid
IUPAC Name (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
InChI Key MIOPJNTWMNEORI-UHFFFAOYNA-N
Molecular Formula C10H16O4S
2

(-)-Borneol, 97+%

CAS: 464-45-9 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00003759,MFCD00066426,MFCD00066427 InChI Key: DTGKSKDOIYIVQL-NQMVMOMDSA-N Synonym: --borneol,borneol,l-borneol,1s,2r,4s-1,7,7-trimethylbicyclo 2.2.1 heptan-2-ol,linderol,1s-endo---borneol,borneo camphor,bornyl alcohol,sumatra camphor,dl-borneol PubChem CID: 1201518 ChEBI: CHEBI:15394 SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2

PubChem CID 1201518
CAS 464-45-9
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:15394
MDL Number MFCD00003759,MFCD00066426,MFCD00066427
SMILES CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2
Synonym --borneol,borneol,l-borneol,1s,2r,4s-1,7,7-trimethylbicyclo 2.2.1 heptan-2-ol,linderol,1s-endo---borneol,borneo camphor,bornyl alcohol,sumatra camphor,dl-borneol
InChI Key DTGKSKDOIYIVQL-NQMVMOMDSA-N
Molecular Formula C10H18O
3

4-Bromobutylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester, 95%, Thermo Scientific Chemicals

CAS: 165881-36-7 Molecular Formula: C14H24BBrO2 Molecular Weight (g/mol): 315.058 MDL Number: MFCD09037500 InChI Key: DQGAIMVYOVPBSD-FMSGJZPZSA-N Synonym: 4-bromobutylboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,4-bromobutylboronate ester,4-bromobutaneboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,1s,2s,3r,5s-+-2,3-pinanediol 4-bromobutylboronate ester,1s,2s,6r,8s-4-4-bromobutyl-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.02,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0?,? decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0^ 2,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0_,? decane,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborole,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo d 1,3,2 dioxaborole PubChem CID: 44784918 SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCCBr

PubChem CID 44784918
CAS 165881-36-7
Molecular Weight (g/mol) 315.058
MDL Number MFCD09037500
SMILES B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCCBr
Synonym 4-bromobutylboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,4-bromobutylboronate ester,4-bromobutaneboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,1s,2s,3r,5s-+-2,3-pinanediol 4-bromobutylboronate ester,1s,2s,6r,8s-4-4-bromobutyl-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.02,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0?,? decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0^ 2,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0_,? decane,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborole,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo d 1,3,2 dioxaborole
InChI Key DQGAIMVYOVPBSD-FMSGJZPZSA-N
Molecular Formula C14H24BBrO2
4

Docetaxel, 99%

CAS: 114977-28-5 Molecular Formula: C43H53NO14 Molecular Weight (g/mol): 807.89 MDL Number: MFCD00800737 InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Synonym: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

PubChem CID 148124
CAS 114977-28-5
Molecular Weight (g/mol) 807.89
ChEBI CHEBI:4672
MDL Number MFCD00800737
SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
Synonym docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl
InChI Key ZDZOTLJHXYCWBA-VCVYQWHSSA-N
Molecular Formula C43H53NO14
5

Citronellic acid, 94%

CAS: 502-47-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00002728 InChI Key: GJWSUKYXUMVMGX-UHFFFAOYNA-N Synonym: citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr PubChem CID: 10402 ChEBI: CHEBI:80507 IUPAC Name: 3,7-dimethyloct-6-enoic acid SMILES: CC(CCC=C(C)C)CC(O)=O

PubChem CID 10402
CAS 502-47-6
Molecular Weight (g/mol) 170.25
ChEBI CHEBI:80507
MDL Number MFCD00002728
SMILES CC(CCC=C(C)C)CC(O)=O
Synonym citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr
IUPAC Name 3,7-dimethyloct-6-enoic acid
InChI Key GJWSUKYXUMVMGX-UHFFFAOYNA-N
Molecular Formula C10H18O2
6

1,4-Diisopropylbenzene, 98%

CAS: 100-18-5 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.28 MDL Number: MFCD00008892 InChI Key: SPPWGCYEYAMHDT-UHFFFAOYSA-N Synonym: 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652 PubChem CID: 7486 IUPAC Name: 1,4-di(propan-2-yl)benzene SMILES: CC(C)C1=CC=C(C=C1)C(C)C

PubChem CID 7486
CAS 100-18-5
Molecular Weight (g/mol) 162.28
MDL Number MFCD00008892
SMILES CC(C)C1=CC=C(C=C1)C(C)C
Synonym 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652
IUPAC Name 1,4-di(propan-2-yl)benzene
InChI Key SPPWGCYEYAMHDT-UHFFFAOYSA-N
Molecular Formula C12H18
7

Geraniol, 97%

CAS: 106-24-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00002917 InChI Key: GLZPCOQZEFWAFX-JXMROGBWSA-N Synonym: geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra PubChem CID: 637566 ChEBI: CHEBI:17447 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C

PubChem CID 637566
CAS 106-24-1
Molecular Weight (g/mol) 154.253
ChEBI CHEBI:17447
MDL Number MFCD00002917
SMILES CC(=CCCC(=CCO)C)C
Synonym geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra
IUPAC Name (2E)-3,7-dimethylocta-2,6-dien-1-ol
InChI Key GLZPCOQZEFWAFX-JXMROGBWSA-N
Molecular Formula C10H18O
8

(-)-alpha-Pinene, 98%, cont. variable amounts of enantiomer

CAS: 7785-26-4 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00064145 InChI Key: GRWFGVWFFZKLTI-IUCAKERBSA-N Synonym: --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s PubChem CID: 440968 ChEBI: CHEBI:28660 IUPAC Name: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

PubChem CID 440968
CAS 7785-26-4
Molecular Weight (g/mol) 136.238
ChEBI CHEBI:28660
MDL Number MFCD00064145
SMILES CC1=CCC2CC1C2(C)C
Synonym --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s
IUPAC Name (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key GRWFGVWFFZKLTI-IUCAKERBSA-N
Molecular Formula C10H16
9

(R)-(+)-Limonene, 96%

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC(=C)[C@@H]1CCC(C)=CC1

PubChem CID 440917
CAS 5989-27-5
Molecular Weight (g/mol) 136.24
ChEBI CHEBI:15382
MDL Number MFCD00062991
SMILES CC(=C)[C@@H]1CCC(C)=CC1
Synonym d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene
IUPAC Name (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI Key XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula C10H16
10

(+)-alpha-Pinene, 98%

CAS: 7785-70-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001346 InChI Key: GRWFGVWFFZKLTI-RKDXNWHRSA-N Synonym: +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene PubChem CID: 82227 ChEBI: CHEBI:28261 IUPAC Name: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C

PubChem CID 82227
CAS 7785-70-8
Molecular Weight (g/mol) 136.24
ChEBI CHEBI:28261
MDL Number MFCD00001346
SMILES CC1=CC[C@@H]2C[C@H]1C2(C)C
Synonym +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene
IUPAC Name (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula C10H16
11

4-Isopropylphenylacetic acid, 98+%

CAS: 4476-28-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00041035 InChI Key: RERBQXVRXYCGLT-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetic acid,2-4-isopropylphenyl acetic acid,4-isopropylphenyl acetic acid,benzeneacetic acid, 4-1-methylethyl,2-4-propan-2-yl phenyl acetic acid,p-isopropyl phenyl acetic acid,4-isopropyl-phenyl-acetic acid,4-propan-2-yl phenyl acetic acid,2-4-methylethyl phenyl acetic acid,4-isopropylphenylaceticacid PubChem CID: 78230 IUPAC Name: 2-(4-propan-2-ylphenyl)acetic acid SMILES: CC(C)C1=CC=C(C=C1)CC(=O)O

PubChem CID 78230
CAS 4476-28-2
Molecular Weight (g/mol) 178.231
MDL Number MFCD00041035
SMILES CC(C)C1=CC=C(C=C1)CC(=O)O
Synonym 4-isopropylphenylacetic acid,2-4-isopropylphenyl acetic acid,4-isopropylphenyl acetic acid,benzeneacetic acid, 4-1-methylethyl,2-4-propan-2-yl phenyl acetic acid,p-isopropyl phenyl acetic acid,4-isopropyl-phenyl-acetic acid,4-propan-2-yl phenyl acetic acid,2-4-methylethyl phenyl acetic acid,4-isopropylphenylaceticacid
IUPAC Name 2-(4-propan-2-ylphenyl)acetic acid
InChI Key RERBQXVRXYCGLT-UHFFFAOYSA-N
Molecular Formula C11H14O2
12

(S)-(+)-Carvone, 96%

CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C

PubChem CID 16724
CAS 2244-16-8
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:15399
MDL Number MFCD00062997
SMILES CC1=CCC(CC1=O)C(=C)C
Synonym d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one
IUPAC Name (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key ULDHMXUKGWMISQ-VIFPVBQESA-N
Molecular Formula C10H14O
13

4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%

CAS: 5451-55-8 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00042622 InChI Key: QVQKEGYITJBHRQ-UHFFFAOYSA-N Synonym: trans-4-tert-butylcyclohexanecarboxylic acid,4-tert-butylcyclohexanecarboxylic acid,cis-4-tert-butylcyclohexanecarboxylic acid,trans-4-tert-butyl cyclohexanecarboxylic acid,4-tert-butyl cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, cis,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl,cis-4-tert-butylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, trans,qvqkegyitjbhrq-dtorhvgosa-n PubChem CID: 136759 IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid SMILES: CC(C)(C)C1CCC(CC1)C(=O)O

PubChem CID 136759
CAS 5451-55-8
Molecular Weight (g/mol) 184.279
MDL Number MFCD00042622
SMILES CC(C)(C)C1CCC(CC1)C(=O)O
Synonym trans-4-tert-butylcyclohexanecarboxylic acid,4-tert-butylcyclohexanecarboxylic acid,cis-4-tert-butylcyclohexanecarboxylic acid,trans-4-tert-butyl cyclohexanecarboxylic acid,4-tert-butyl cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, cis,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl,cis-4-tert-butylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, trans,qvqkegyitjbhrq-dtorhvgosa-n
IUPAC Name 4-tert-butylcyclohexane-1-carboxylic acid
InChI Key QVQKEGYITJBHRQ-UHFFFAOYSA-N
Molecular Formula C11H20O2
14

Norbornane-2-carboxylic acid, 98%, predominantly endo isomer

CAS: 824-62-4 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00167749 InChI Key: JESWDXIHOJGWBP-UHFFFAOYNA-N Synonym: bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid PubChem CID: 79113 SMILES: OC(=O)C1CC2CCC1C2

PubChem CID 79113
CAS 824-62-4
Molecular Weight (g/mol) 140.18
MDL Number MFCD00167749
SMILES OC(=O)C1CC2CCC1C2
Synonym bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid
InChI Key JESWDXIHOJGWBP-UHFFFAOYNA-N
Molecular Formula C8H12O2
15

4-Isopropylphenylacetonitrile, 98+%

CAS: 4395-87-3 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00040892 InChI Key: RIPHZOPMCRSGSI-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile PubChem CID: 138222 IUPAC Name: 2-(4-propan-2-ylphenyl)acetonitrile SMILES: CC(C)C1=CC=C(CC#N)C=C1

PubChem CID 138222
CAS 4395-87-3
Molecular Weight (g/mol) 159.23
MDL Number MFCD00040892
SMILES CC(C)C1=CC=C(CC#N)C=C1
Synonym 4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile
IUPAC Name 2-(4-propan-2-ylphenyl)acetonitrile
InChI Key RIPHZOPMCRSGSI-UHFFFAOYSA-N
Molecular Formula C11H13N