Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.

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alpha-Pinene, 97%, stabilized with alpha-Tocopherol

CAS: 80-56-8 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001339 InChI Key: GRWFGVWFFZKLTI-UHFFFAOYSA-N Synonym: alpha-pinene,2-pinene,.alpha.-pinene,acintene a,pinene isomer,2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,pinene, alpha,pin-2 3-ene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl,+-a-pinene PubChem CID: 6654 ChEBI: CHEBI:36740 IUPAC Name: 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

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PubChem CID	6654
CAS	80-56-8
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:36740
MDL Number	MFCD00001339
SMILES	CC1=CCC2CC1C2(C)C
Synonym	alpha-pinene,2-pinene,.alpha.-pinene,acintene a,pinene isomer,2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,pinene, alpha,pin-2 3-ene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl,+-a-pinene
IUPAC Name	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key	GRWFGVWFFZKLTI-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

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3-Carene, 90%, stabilized

CAS: 13466-78-9 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.23 MDL Number: MFCD00001315 InChI Key: BQOFWKZOCNGFEC-UHFFFAOYSA-N Synonym: 3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene PubChem CID: 26049 ChEBI: CHEBI:35661 IUPAC Name: 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CCC2C(C1)C2(C)C

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PubChem CID	26049
CAS	13466-78-9
Molecular Weight (g/mol)	136.23
ChEBI	CHEBI:35661
MDL Number	MFCD00001315
SMILES	CC1=CCC2C(C1)C2(C)C
Synonym	3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene
IUPAC Name	4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key	BQOFWKZOCNGFEC-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

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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

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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

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L(-)-Perillaldehyde, 90%

CAS: 18031-40-8 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001543 InChI Key: RUMOYJJNUMEFDD-SNVBAGLBSA-N Synonym: --perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s PubChem CID: 2724159 ChEBI: CHEBI:86938 IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde SMILES: CC(=C)C1CCC(=CC1)C=O

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PubChem CID	2724159
CAS	18031-40-8
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:86938
MDL Number	MFCD00001543
SMILES	CC(=C)C1CCC(=CC1)C=O
Synonym	--perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s
IUPAC Name	(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
InChI Key	RUMOYJJNUMEFDD-SNVBAGLBSA-N
Molecular Formula	C₁₀H₁₄O

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(1R,2S)-(-)-2,N-Epoxy-10,2-camphorsultam, 96%

CAS: 104372-31-8 Molecular Formula: C10H15NO3S Molecular Weight (g/mol): 229.294 MDL Number: MFCD00075428 InChI Key: GBBJBUGPGFNISJ-HPFPYREMSA-N Synonym: 1r---10-camphorsulfonyl oxaziridine,--2s,8ar-camphorylsulfonyl oxaziridine PubChem CID: 98044902 SMILES: CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C

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PubChem CID	98044902
CAS	104372-31-8
Molecular Weight (g/mol)	229.294
MDL Number	MFCD00075428
SMILES	CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C
Synonym	1r---10-camphorsulfonyl oxaziridine,--2s,8ar-camphorylsulfonyl oxaziridine
InChI Key	GBBJBUGPGFNISJ-HPFPYREMSA-N
Molecular Formula	C10H15NO3S

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alpha-Terpinene, 90%, tech.

CAS: 99-86-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001534 InChI Key: YHQGMYUVUMAZJR-UHFFFAOYSA-N Synonym: alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene PubChem CID: 7462 ChEBI: CHEBI:10334 IUPAC Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene SMILES: CC(C)C1=CC=C(C)CC1

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PubChem CID	7462
CAS	99-86-5
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:10334
MDL Number	MFCD00001534
SMILES	CC(C)C1=CC=C(C)CC1
Synonym	alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene
IUPAC Name	1-methyl-4-propan-2-ylcyclohexa-1,3-diene
InChI Key	YHQGMYUVUMAZJR-UHFFFAOYSA-N
Molecular Formula	C10H16

Bis(pentamethylcyclopentadienyl)nickel

CAS: 74507-63-4 Molecular Formula: C20H30Ni Molecular Weight (g/mol): 329.153 MDL Number: MFCD00058704 InChI Key: CHPLEWYRKUFKQP-UHFFFAOYSA-N Synonym: Decamethylnickelocene PubChem CID: 24943158 IUPAC Name: nickel(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene SMILES: CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ni+2]

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PubChem CID	24943158
CAS	74507-63-4
Molecular Weight (g/mol)	329.153
MDL Number	MFCD00058704
SMILES	CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ni+2]
Synonym	Decamethylnickelocene
IUPAC Name	nickel(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
InChI Key	CHPLEWYRKUFKQP-UHFFFAOYSA-N
Molecular Formula	C20H30Ni

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Geraniol, 99%

CAS: 106-24-1 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 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

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PubChem CID	637566
CAS	106-24-1
Molecular Weight (g/mol)	154.25
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

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Geranyl bromide, 96%

CAS: 6138-90-5 Molecular Formula: C10H17Br Molecular Weight (g/mol): 217.15 MDL Number: MFCD00000243 InChI Key: JSCUZAYKVZXKQE-JXMROGBWSA-N Synonym: geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide PubChem CID: 5365867 IUPAC Name: (2E)-1-bromo-3,7-dimethylocta-2,6-diene SMILES: CC(=CCCC(=CCBr)C)C

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PubChem CID	5365867
CAS	6138-90-5
Molecular Weight (g/mol)	217.15
MDL Number	MFCD00000243
SMILES	CC(=CCCC(=CCBr)C)C
Synonym	geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide
IUPAC Name	(2E)-1-bromo-3,7-dimethylocta-2,6-diene
InChI Key	JSCUZAYKVZXKQE-JXMROGBWSA-N
Molecular Formula	C10H17Br

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L(-)-Fenchone, 98+%

CAS: 7787-20-4 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00151104 InChI Key: LHXDLQBQYFFVNW-GMSGAONNSA-N Synonym: l-fenchone,1r-fenchone,1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one,2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one PubChem CID: 3034206 IUPAC Name: (1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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PubChem CID	3034206
CAS	7787-20-4
Molecular Weight (g/mol)	152.24
MDL Number	MFCD00151104
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	l-fenchone,1r-fenchone,1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one,2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one
IUPAC Name	(1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-GMSGAONNSA-N
Molecular Formula	C₁₀H₁₆O

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D(+)-Fenchone, 97%

CAS: 4695-62-9 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00070689 InChI Key: LHXDLQBQYFFVNW-XCBNKYQSSA-N Synonym: +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one PubChem CID: 1201521 ChEBI: CHEBI:165 IUPAC Name: (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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PubChem CID	1201521
CAS	4695-62-9
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:165
MDL Number	MFCD00070689
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	+-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one
IUPAC Name	(1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-XCBNKYQSSA-N
Molecular Formula	C₁₀H₁₆O

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4-Isopropylbenzoic acid, 98+%

CAS: 536-66-3 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 MDL Number: MFCD00002564 InChI Key: CKMXAIVXVKGGFM-UHFFFAOYSA-N Synonym: 4-isopropylbenzoic acid,cuminic acid,cumic acid,p-isopropylbenzoic acid,4-1-methylethyl benzoic acid,benzoic acid, 4-1-methylethyl,4-propan-2-yl benzoic acid,benzoic acid, p-isopropyl,p-cumic acid,4-isopropyl benzoic acid PubChem CID: 10820 ChEBI: CHEBI:28122 IUPAC Name: 4-propan-2-ylbenzoic acid SMILES: CC(C)C1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	10820
CAS	536-66-3
Molecular Weight (g/mol)	164.2
ChEBI	CHEBI:28122
MDL Number	MFCD00002564
SMILES	CC(C)C1=CC=C(C=C1)C(=O)O
Synonym	4-isopropylbenzoic acid,cuminic acid,cumic acid,p-isopropylbenzoic acid,4-1-methylethyl benzoic acid,benzoic acid, 4-1-methylethyl,4-propan-2-yl benzoic acid,benzoic acid, p-isopropyl,p-cumic acid,4-isopropyl benzoic acid
IUPAC Name	4-propan-2-ylbenzoic acid
InChI Key	CKMXAIVXVKGGFM-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₂

Pulegone, 92%, pract.

CAS: 89-82-7 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00063000 InChI Key: NZGWDASTMWDZIW-QMMMGPOBSA-N Synonym: --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one PubChem CID: 638012 ChEBI: CHEBI:81226 IUPAC Name: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one SMILES: CC1CCC(=C(C)C)C(=O)C1

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Specifications

PubChem CID	638012
CAS	89-82-7
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:81226
MDL Number	MFCD00063000
SMILES	CC1CCC(=C(C)C)C(=O)C1
Synonym	--pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one
IUPAC Name	(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI Key	NZGWDASTMWDZIW-QMMMGPOBSA-N
Molecular Formula	C₁₀H₁₆O

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(+)-Limonene, 96%, unstabilized

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 SMILES: CC(=C)[C@@H]1CCC(C)=CC1

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Specifications

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
InChI Key	XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula	C10H16

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Citronellol, 95%

CAS: 106-22-9 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Synonym: citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol PubChem CID: 8842 ChEBI: CHEBI:50462 IUPAC Name: 3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

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Specifications

PubChem CID	8842
CAS	106-22-9
Molecular Weight (g/mol)	156.269
ChEBI	CHEBI:50462
MDL Number	MFCD00002935
SMILES	CC(CCC=C(C)C)CCO
Synonym	citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol
IUPAC Name	3,7-dimethyloct-6-en-1-ol
InChI Key	QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Molecular Formula	C10H20O

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