Unsaturated hydrocarbons

Organic compounds made up entirely of hydrogen and carbon elements that contain both double and triple carbon - carbon bonds in their structures.

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Allyl(chloro)[1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene]palladium(II), Thermo Scientific Chemicals

CAS: 1248656-98-5 Molecular Formula: C51H52ClFePPd Molecular Weight (g/mol): 893.666 MDL Number: MFCD25372546 InChI Key: SURRVSCVVZPMFV-UHFFFAOYSA-M Synonym: pdclallyl qphos,allyl chloro 1,2,3,4,5-pentaphenyl-1'-di-tert-butylphosphino ferrocene palladium ii PubChem CID: 73994982 IUPAC Name: chloropalladium(1+);ditert-butyl(cyclopenta-2,4-dien-1-yl)phosphane;iron(2+);prop-1-ene;(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene SMILES: CC(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[CH2-]C=C.C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.Cl[Pd+].[Fe+2]

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Specifications

PubChem CID	73994982
CAS	1248656-98-5
Molecular Weight (g/mol)	893.666
MDL Number	MFCD25372546
SMILES	CC(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[CH2-]C=C.C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.Cl[Pd+].[Fe+2]
Synonym	pdclallyl qphos,allyl chloro 1,2,3,4,5-pentaphenyl-1'-di-tert-butylphosphino ferrocene palladium ii
IUPAC Name	chloropalladium(1+);ditert-butyl(cyclopenta-2,4-dien-1-yl)phosphane;iron(2+);prop-1-ene;(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene
InChI Key	SURRVSCVVZPMFV-UHFFFAOYSA-M
Molecular Formula	C51H52ClFePPd

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2-Butyne, 98%

CAS: 503-17-3 Molecular Formula: C4H6 Molecular Weight (g/mol): 54.092 MDL Number: MFCD00009275 InChI Key: XNMQEEKYCVKGBD-UHFFFAOYSA-N Synonym: 2-butyne,dimethylacetylene,crotonylene,unii-lke6d3018e,ch3cequivcch3,1,2-dimethylvinylene,1-methyl-1-propynyl,2-butyn,acmc-209kl9 PubChem CID: 10419 IUPAC Name: but-2-yne SMILES: CC#CC

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Specifications

PubChem CID	10419
CAS	503-17-3
Molecular Weight (g/mol)	54.092
MDL Number	MFCD00009275
SMILES	CC#CC
Synonym	2-butyne,dimethylacetylene,crotonylene,unii-lke6d3018e,ch3cequivcch3,1,2-dimethylvinylene,1-methyl-1-propynyl,2-butyn,acmc-209kl9
IUPAC Name	but-2-yne
InChI Key	XNMQEEKYCVKGBD-UHFFFAOYSA-N
Molecular Formula	C4H6

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6-Phenyl-2-hexyne, 99%

CAS: 34298-75-4 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00026982 InChI Key: BYQGPSNMZZGRQP-UHFFFAOYSA-N Synonym: 6-phenyl-2-hexyne,hex-4-yn-1-ylbenzene,1-phenyl-4-hexyne,acmc-20alxr,methyl 3-phenylpropyl acetylene PubChem CID: 3251198 IUPAC Name: hex-4-ynylbenzene SMILES: CC#CCCCC1=CC=CC=C1

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Specifications

PubChem CID	3251198
CAS	34298-75-4
Molecular Weight (g/mol)	158.244
MDL Number	MFCD00026982
SMILES	CC#CCCCC1=CC=CC=C1
Synonym	6-phenyl-2-hexyne,hex-4-yn-1-ylbenzene,1-phenyl-4-hexyne,acmc-20alxr,methyl 3-phenylpropyl acetylene
IUPAC Name	hex-4-ynylbenzene
InChI Key	BYQGPSNMZZGRQP-UHFFFAOYSA-N
Molecular Formula	C12H14

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2-Methyl-1-butene, 98%

CAS: 563-46-2 Molecular Formula: C5H10 Molecular Weight (g/mol): 70.14 MDL Number: MFCD00009333 InChI Key: MHNNAWXXUZQSNM-UHFFFAOYSA-N Synonym: 2-methyl-1-butene,2-methylbutene,1-butene, 2-methyl,1-isoamylene,2-methylbutene-1,butene, 2-methyl,gamma-isoamylene,.gamma.-isoamylene,unii-33c9y0i55h,c2h5c ch3 =ch2 PubChem CID: 11240 ChEBI: CHEBI:77915 IUPAC Name: 2-methylbut-1-ene SMILES: CCC(C)=C

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Specifications

PubChem CID	11240
CAS	563-46-2
Molecular Weight (g/mol)	70.14
ChEBI	CHEBI:77915
MDL Number	MFCD00009333
SMILES	CCC(C)=C
Synonym	2-methyl-1-butene,2-methylbutene,1-butene, 2-methyl,1-isoamylene,2-methylbutene-1,butene, 2-methyl,gamma-isoamylene,.gamma.-isoamylene,unii-33c9y0i55h,c2h5c ch3 =ch2
IUPAC Name	2-methylbut-1-ene
InChI Key	MHNNAWXXUZQSNM-UHFFFAOYSA-N
Molecular Formula	C5H10

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Phenylacetylene, 98+%

CAS: 536-74-3 Molecular Formula: C8H6 Molecular Weight (g/mol): 102.136 MDL Number: MFCD00008570 InChI Key: UEXCJVNBTNXOEH-UHFFFAOYSA-N Synonym: phenylacetylene,phenylethyne,benzene, ethynyl,1-phenylethyne,phenylacetylide,phenyl acetylene,ethyne, phenyl,acetylene, phenyl,ethynyl-benzene,phenylacethylene PubChem CID: 10821 IUPAC Name: ethynylbenzene SMILES: C#CC1=CC=CC=C1

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Specifications

PubChem CID	10821
CAS	536-74-3
Molecular Weight (g/mol)	102.136
MDL Number	MFCD00008570
SMILES	C#CC1=CC=CC=C1
Synonym	phenylacetylene,phenylethyne,benzene, ethynyl,1-phenylethyne,phenylacetylide,phenyl acetylene,ethyne, phenyl,acetylene, phenyl,ethynyl-benzene,phenylacethylene
IUPAC Name	ethynylbenzene
InChI Key	UEXCJVNBTNXOEH-UHFFFAOYSA-N
Molecular Formula	C8H6

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cis-Cyclooctene, 95%, stab.

CAS: 931-87-3 Molecular Formula: C8H14 Molecular Weight (g/mol): 110.20 MDL Number: MFCD00001753 InChI Key: URYYVOIYTNXXBN-UPHRSURJSA-N Synonym: cis-cyclooctene,z-cyclooctene,cyclooctene, z,cyclooctene, 1z,cyclooct-1-ene,e-cyclooctene,1-cyclooctene #,1z-cyclooctene,7z-cyclooctene,ar,e-cyclooctene PubChem CID: 638079 SMILES: C1CCC\C=C/CC1

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Specifications

PubChem CID	638079
CAS	931-87-3
Molecular Weight (g/mol)	110.20
MDL Number	MFCD00001753
SMILES	C1CCC\C=C/CC1
Synonym	cis-cyclooctene,z-cyclooctene,cyclooctene, z,cyclooctene, 1z,cyclooct-1-ene,e-cyclooctene,1-cyclooctene #,1z-cyclooctene,7z-cyclooctene,ar,e-cyclooctene
InChI Key	URYYVOIYTNXXBN-UPHRSURJSA-N
Molecular Formula	C8H14

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Bisabolene, mixture of isomers

CAS: 495-62-5 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00129080 InChI Key: XBGUIVFBMBVUEG-CCEZHUSRSA-N Synonym: e-gamma-bisabolene,unii-l8m7r52o3b,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, e,1e-bisabola-1 10 ,4,7 11-triene 4e-4-1,5-dimethylhex-4-en-1-ylidene-1-methylcyclohexene,gamma-bisabolene, e,gamma-bisabolene, 4e,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, 4e,.gamma.-bisabolene,e gamma-bisabolene,1-methyl-4-6-methylhept-5-en-2-ylidene cyclohex-1-ene PubChem CID: 3033866 ChEBI: CHEBI:49238 IUPAC Name: (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene SMILES: CC1=CCC(=C(C)CCC=C(C)C)CC1

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Specifications

PubChem CID	3033866
CAS	495-62-5
Molecular Weight (g/mol)	204.357
ChEBI	CHEBI:49238
MDL Number	MFCD00129080
SMILES	CC1=CCC(=C(C)CCC=C(C)C)CC1
Synonym	e-gamma-bisabolene,unii-l8m7r52o3b,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, e,1e-bisabola-1 10 ,4,7 11-triene 4e-4-1,5-dimethylhex-4-en-1-ylidene-1-methylcyclohexene,gamma-bisabolene, e,gamma-bisabolene, 4e,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, 4e,.gamma.-bisabolene,e gamma-bisabolene,1-methyl-4-6-methylhept-5-en-2-ylidene cyclohex-1-ene
IUPAC Name	(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
InChI Key	XBGUIVFBMBVUEG-CCEZHUSRSA-N
Molecular Formula	C15H24

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2,4,4-Trimethyl-2-pentene, 97%

CAS: 107-40-4 Molecular Formula: C8H16 Molecular Weight (g/mol): 112.216 MDL Number: MFCD00008902 InChI Key: LAAVYEUJEMRIGF-UHFFFAOYSA-N Synonym: 2,4,4-trimethyl-2-pentene,2-pentene, 2,4,4-trimethyl,2,2,4-trimethyl-3-pentene,2,4,4-trimethylpentene-2,unii-548r0du21i,beta-diisobutylene,propene, 1-tert-butyl-2-methyl,acmc-1cujo,dsstox_cid_6766,dsstox_rid_78208 PubChem CID: 7869 IUPAC Name: 2,4,4-trimethylpent-2-ene SMILES: CC(=CC(C)(C)C)C

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Specifications

PubChem CID	7869
CAS	107-40-4
Molecular Weight (g/mol)	112.216
MDL Number	MFCD00008902
SMILES	CC(=CC(C)(C)C)C
Synonym	2,4,4-trimethyl-2-pentene,2-pentene, 2,4,4-trimethyl,2,2,4-trimethyl-3-pentene,2,4,4-trimethylpentene-2,unii-548r0du21i,beta-diisobutylene,propene, 1-tert-butyl-2-methyl,acmc-1cujo,dsstox_cid_6766,dsstox_rid_78208
IUPAC Name	2,4,4-trimethylpent-2-ene
InChI Key	LAAVYEUJEMRIGF-UHFFFAOYSA-N
Molecular Formula	C8H16

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1-n-Butyl-4-[(4-butylphenyl)ethynyl]benzene, 99+%

CAS: 80221-11-0 Molecular Formula: C22H26 Molecular Weight (g/mol): 290.45 MDL Number: MFCD04038794 InChI Key: UUVMZCQRPVPWNI-UHFFFAOYSA-N Synonym: 1-n-butyl-4-4-butylphenyl ethynyl benzene,1,2-bis 4-butylphenyl ethyne,1-butyl-4-2-4-butylphenyl ethynyl benzene,bis 4-butylphenyl ethyne,1,2-bis 4-n-butylphenyl acetylene,1,2-di-4-n-butylphenyl acetylene,1,1'-ethyne-1,2-diyl bis 4-butylbenzene,1-n-butyl-4-4-butylphenyl ethynyl benzene, 99+% PubChem CID: 13710203 IUPAC Name: 1-butyl-4-[2-(4-butylphenyl)ethynyl]benzene SMILES: CCCCC1=CC=C(C=C1)C#CC1=CC=C(CCCC)C=C1

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Specifications

PubChem CID	13710203
CAS	80221-11-0
Molecular Weight (g/mol)	290.45
MDL Number	MFCD04038794
SMILES	CCCCC1=CC=C(C=C1)C#CC1=CC=C(CCCC)C=C1
Synonym	1-n-butyl-4-4-butylphenyl ethynyl benzene,1,2-bis 4-butylphenyl ethyne,1-butyl-4-2-4-butylphenyl ethynyl benzene,bis 4-butylphenyl ethyne,1,2-bis 4-n-butylphenyl acetylene,1,2-di-4-n-butylphenyl acetylene,1,1'-ethyne-1,2-diyl bis 4-butylbenzene,1-n-butyl-4-4-butylphenyl ethynyl benzene, 99+%
IUPAC Name	1-butyl-4-[2-(4-butylphenyl)ethynyl]benzene
InChI Key	UUVMZCQRPVPWNI-UHFFFAOYSA-N
Molecular Formula	C22H26

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1,5-Cyclooctadiene, 99+%, stabilized, purified by redistillation, AcroSeal™, Thermo Scientific Chemicals

CAS: 111-78-4 Molecular Formula: C8H12 Molecular Weight (g/mol): 108.18 MDL Number: MFCD00001752 InChI Key: VYXHVRARDIDEHS-QGTKBVGQSA-N Synonym: 1,5-cyclooctadiene,cycloocta-1,5-diene,1z,5z-cycloocta-1,5-diene,1,5-cyclooctadiene z,z,1z,5z-cyclooctadiene,z,z-cycloocta-1,5-diene,1-cis,5-cis-cyclooctadiene,unii-1e1vvd385z,cis,cis-cycloocta-1,5-diene,1,5-cod PubChem CID: 10937607 IUPAC Name: (5Z)-cycloocta-1,5-diene SMILES: C1C\C=C/CC\C=C/1

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Specifications

PubChem CID	10937607
CAS	111-78-4
Molecular Weight (g/mol)	108.18
MDL Number	MFCD00001752
SMILES	C1C\C=C/CC\C=C/1
Synonym	1,5-cyclooctadiene,cycloocta-1,5-diene,1z,5z-cycloocta-1,5-diene,1,5-cyclooctadiene z,z,1z,5z-cyclooctadiene,z,z-cycloocta-1,5-diene,1-cis,5-cis-cyclooctadiene,unii-1e1vvd385z,cis,cis-cycloocta-1,5-diene,1,5-cod
IUPAC Name	(5Z)-cycloocta-1,5-diene
InChI Key	VYXHVRARDIDEHS-QGTKBVGQSA-N
Molecular Formula	C8H12

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Isoprene, 98%, stabilized

CAS: 78-79-5 Molecular Formula: C₅H₈ Molecular Weight (g/mol): 68.11 MDL Number: MFCD00008600 InChI Key: RRHGJUQNOFWUDK-UHFFFAOYSA-N Synonym: isoprene,2-methyl-1,3-butadiene,isopentadiene,2-methylbutadiene,1,3-butadiene, 2-methyl,2-methyldivinyl,beta-methylbivinyl,isopreno,isoterpene,isopren PubChem CID: 6557 ChEBI: CHEBI:35194 IUPAC Name: 2-methylbuta-1,3-diene SMILES: CC(=C)C=C

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Specifications

PubChem CID	6557
CAS	78-79-5
Molecular Weight (g/mol)	68.11
ChEBI	CHEBI:35194
MDL Number	MFCD00008600
SMILES	CC(=C)C=C
Synonym	isoprene,2-methyl-1,3-butadiene,isopentadiene,2-methylbutadiene,1,3-butadiene, 2-methyl,2-methyldivinyl,beta-methylbivinyl,isopreno,isoterpene,isopren
IUPAC Name	2-methylbuta-1,3-diene
InChI Key	RRHGJUQNOFWUDK-UHFFFAOYSA-N
Molecular Formula	C₅H₈

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1,3,5,7-Cyclooctatetraene, 98%, stabilized

CAS: 629-20-9 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004161 InChI Key: KDUIUFJBNGTBMD-DLMDZQPMSA-N Synonym: 1,3,5,7-cyclooctatetraene,8 annulene,unii-aj19r479cq,cycloocta-1,3,5,7-tetraene,8-annulene,cyclooctatetraene,1,5,7-cyclooctatetraene,un2358 flammable liquid,kduiufjbngtbmd-bonzmoemsa-n PubChem CID: 637866 IUPAC Name: cyclooctatetraene SMILES: C1=C/C=C\C=C/C=C\1

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Specifications

PubChem CID	637866
CAS	629-20-9
Molecular Weight (g/mol)	104.15
MDL Number	MFCD00004161
SMILES	C1=C/C=C\C=C/C=C\1
Synonym	1,3,5,7-cyclooctatetraene,8 annulene,unii-aj19r479cq,cycloocta-1,3,5,7-tetraene,8-annulene,cyclooctatetraene,1,5,7-cyclooctatetraene,un2358 flammable liquid,kduiufjbngtbmd-bonzmoemsa-n
IUPAC Name	cyclooctatetraene
InChI Key	KDUIUFJBNGTBMD-DLMDZQPMSA-N
Molecular Formula	C8H8

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1-Pentene, 97%

CAS: 109-67-1 Molecular Formula: C5H10 Molecular Weight (g/mol): 70.14 MDL Number: MFCD00003567 InChI Key: YWAKXRMUMFPDSH-UHFFFAOYSA-N Synonym: 1-pentene,pentene,propylethylene,pentylene,alpha-amylene,alpha-n-amylene,1-pentylene,1-n-pentene,unii-alp8m0lu81,pentene-1 PubChem CID: 8004 IUPAC Name: pent-1-ene SMILES: CCCC=C

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Specifications

PubChem CID	8004
CAS	109-67-1
Molecular Weight (g/mol)	70.14
MDL Number	MFCD00003567
SMILES	CCCC=C
Synonym	1-pentene,pentene,propylethylene,pentylene,alpha-amylene,alpha-n-amylene,1-pentylene,1-n-pentene,unii-alp8m0lu81,pentene-1
IUPAC Name	pent-1-ene
InChI Key	YWAKXRMUMFPDSH-UHFFFAOYSA-N
Molecular Formula	C5H10

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1,5-Hexadiene, 98%

CAS: 592-42-7 Molecular Formula: C6H10 Molecular Weight (g/mol): 82.146 MDL Number: MFCD00008666 InChI Key: PYGSKMBEVAICCR-UHFFFAOYSA-N Synonym: 1,5-hexadiene,biallyl,diallyl,hexadiene dot,alpha,omega-hexadiene,.alpha.,.omega.-hexadiene,unii-4mtz4764fi,1,5-hexanediene,acmc-1axer,hexa-1,5-dien-1-yl PubChem CID: 11598 IUPAC Name: hexa-1,5-diene SMILES: C=CCCC=C

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Specifications

PubChem CID	11598
CAS	592-42-7
Molecular Weight (g/mol)	82.146
MDL Number	MFCD00008666
SMILES	C=CCCC=C
Synonym	1,5-hexadiene,biallyl,diallyl,hexadiene dot,alpha,omega-hexadiene,.alpha.,.omega.-hexadiene,unii-4mtz4764fi,1,5-hexanediene,acmc-1axer,hexa-1,5-dien-1-yl
IUPAC Name	hexa-1,5-diene
InChI Key	PYGSKMBEVAICCR-UHFFFAOYSA-N
Molecular Formula	C6H10

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Bis(tetramethylcyclopentadienyl)nickel(II), 98+%

CAS: 79019-60-6 Molecular Formula: C18H26Ni Molecular Weight (g/mol): 301.099 MDL Number: MFCD01862460 InChI Key: PPBIVTWBQQUEKM-UHFFFAOYSA-N Synonym: nickel 2+ bis 2,3,4,5-tetramethylcyclopenta-1,3-dien-1-ide,nickel 2+ ion bis 2,3,4,5-tetramethylcyclopenta-1,3-dien-1-ide PubChem CID: 73994274 IUPAC Name: nickel(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene SMILES: CC1[C-]=C(C(=C1C)C)C.CC1[C-]=C(C(=C1C)C)C.[Ni+2]

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Specifications

PubChem CID	73994274
CAS	79019-60-6
Molecular Weight (g/mol)	301.099
MDL Number	MFCD01862460
SMILES	CC1[C-]=C(C(=C1C)C)C.CC1[C-]=C(C(=C1C)C)C.[Ni+2]
Synonym	nickel 2+ bis 2,3,4,5-tetramethylcyclopenta-1,3-dien-1-ide,nickel 2+ ion bis 2,3,4,5-tetramethylcyclopenta-1,3-dien-1-ide
IUPAC Name	nickel(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene
InChI Key	PPBIVTWBQQUEKM-UHFFFAOYSA-N
Molecular Formula	C18H26Ni

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