1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene

C23H34 — CID 59638896

IUPAC1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
SMILESCCC=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h4-7,10-11,19,21-23H,3,8-9,12-17H2,1-2H3
InChIKeyJEKGECBAYTXCIA-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.04
Rot. Bonds4

About 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene

1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene (PubChem CID 59638896) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
PubChem CID59638896
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
SMILESCCC=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h4-7,10-11,19,21-23H,3,8-9,12-17H2,1-2H3
InChIKeyJEKGECBAYTXCIA-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.04
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-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-(pent-2-enoxymethyl)benzene
CID 54028564
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
1-[4-[(E)-but-1-enyl]cyclohexyl]-4-isocyanobenzene
CID 20594569
1-fluoro-4-(4-hexa-1,3-dienylcyclohexyl)benzene
CID 54500656
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639
1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 54492468
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 173280840
4-[4-[(E)-but-1-enyl]cyclohexyl]-1-[4-[4-(difluoromethyl)cyclohexyl]cyclohexyl]-2-fluorobenzene
CID 70797561
5-[4-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-2-[3-[3-[4-[4-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-2,6-difluorophenyl]propoxy]propyl]-1,3-difluorobenzene
CID 140976244

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene?
The IUPAC name of 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene (CID 59638896) is 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene.
What is the SMILES notation for 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene?
The canonical SMILES for 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene is CCC=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene?
The InChIKey is JEKGECBAYTXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h4-7,10-11,19,21-23H,3,8-9,12-17H2,1-2H3.
What are the key properties of 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene?
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene has a molecular weight of 310.53 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene is sourced from PubChem (CID 59638896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).