[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene

C21H30 — CID 18720884

IUPAC[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
SMILESCC1CCC(/C=C/C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H30/c1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20/h2-6,11-12,17-19,21H,7-10,13-16H2,1H3/b12-11+
InChIKeyDGTAMZTZKQAIMW-VAWYXSNFSA-N
MW282.47 g/mol
LogP6.34
Rot. Bonds3

About [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene

[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene (PubChem CID 18720884) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
PubChem CID18720884
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
SMILESCC1CCC(/C=C/C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H30/c1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20/h2-6,11-12,17-19,21H,7-10,13-16H2,1H3/b12-11+
InChIKeyDGTAMZTZKQAIMW-VAWYXSNFSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.34
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

ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
benzene;cyclopropylbenzene
CID 144638417
(3-methylcyclopentyl)benzene;propane
CID 142973096
1-fluoro-3-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene-6-ide;yttrium
CID 59931312
carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 90949618
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
3-methyl-1-(4-phenylcyclohexyl)azetidine
CID 90791432
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
CID 18656188
1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
(4-propylcyclohexyl)benzene
CID 155887669

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene?
The IUPAC name of [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene (CID 18720884) is [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene.
What is the SMILES notation for [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene?
The canonical SMILES for [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene is CC1CCC(/C=C/C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene?
The InChIKey is DGTAMZTZKQAIMW-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H30/c1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20/h2-6,11-12,17-19,21H,7-10,13-16H2,1H3/b12-11+.
What are the key properties of [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene?
[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene has a molecular weight of 282.47 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene is sourced from PubChem (CID 18720884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).