1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene

C20H30 — CID 56985726

IUPAC1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
SMILESCCC=C(C)C1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C20H30/c1-4-6-16(3)18-12-14-20(15-13-18)19-10-8-17(7-5-2)9-11-19/h6,8-11,18,20H,4-5,7,12-15H2,1-3H3
InChIKeyNXAAHPRHOFAJAU-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.27
Rot. Bonds5

About 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene

1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene (PubChem CID 56985726) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
PubChem CID56985726
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
SMILESCCC=C(C)C1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C20H30/c1-4-6-16(3)18-12-14-20(15-13-18)19-10-8-17(7-5-2)9-11-19/h6,8-11,18,20H,4-5,7,12-15H2,1-3H3
InChIKeyNXAAHPRHOFAJAU-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
1-[4-[(1E)-4-methylpenta-1,3-dienyl]cyclohexyl]-4-propylbenzene
CID 22915848
1-propyl-4-[2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]ethynyl]benzene
CID 123274036
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 18659034
(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
CID 67642965
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate
CID 122470150

Frequently Asked Questions

What is the IUPAC name of 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene?
The IUPAC name of 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene (CID 56985726) is 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene.
What is the SMILES notation for 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene?
The canonical SMILES for 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene is CCC=C(C)C1CCC(c2ccc(CCC)cc2)CC1.
What is the InChIKey of 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene?
The InChIKey is NXAAHPRHOFAJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-4-6-16(3)18-12-14-20(15-13-18)19-10-8-17(7-5-2)9-11-19/h6,8-11,18,20H,4-5,7,12-15H2,1-3H3.
What are the key properties of 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene?
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene has a molecular weight of 270.46 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene is sourced from PubChem (CID 56985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).