1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene

C29H44 — CID 173068307

IUPAC1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
SMILESC=CC1CCC(c2ccc(/C=C/C3CCC(CCCCCCC)CC3)cc2)CC1
InChIInChI=1S/C29H44/c1-3-5-6-7-8-9-25-10-12-26(13-11-25)14-15-27-18-22-29(23-19-27)28-20-16-24(4-2)17-21-28/h4,14-15,18-19,22-26,28H,2-3,5-13,16-17,20-21H2,1H3/b15-14+
InChIKeyXIMTUBSLSPRAGE-CCEZHUSRSA-N
MW392.67 g/mol
LogP9.33
Rot. Bonds10

About 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene

1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene (PubChem CID 173068307) has the molecular formula C29H44 and a molecular weight of 392.67 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
PubChem CID173068307
Molecular FormulaC29H44
Molecular Weight392.67 g/mol
Exact Mass392.34
IUPAC Name1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
SMILESC=CC1CCC(c2ccc(/C=C/C3CCC(CCCCCCC)CC3)cc2)CC1
InChIInChI=1S/C29H44/c1-3-5-6-7-8-9-25-10-12-26(13-11-25)14-15-27-18-22-29(23-19-27)28-20-16-24(4-2)17-21-28/h4,14-15,18-19,22-26,28H,2-3,5-13,16-17,20-21H2,1H3/b15-14+
InChIKeyXIMTUBSLSPRAGE-CCEZHUSRSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
1-(4-butylcyclohexyl)-4-[4-[2-(4-hept-6-enylcyclohexyl)ethenyl]phenyl]benzene
CID 59498984
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-heptylcyclohexyl)-4-(5,5,5-trifluoropent-1-enyl)benzene
CID 54292273
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene (CID 173068307) is 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene is C=CC1CCC(c2ccc(/C=C/C3CCC(CCCCCCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene?
The InChIKey is XIMTUBSLSPRAGE-CCEZHUSRSA-N. The full InChI is InChI=1S/C29H44/c1-3-5-6-7-8-9-25-10-12-26(13-11-25)14-15-27-18-22-29(23-19-27)28-20-16-24(4-2)17-21-28/h4,14-15,18-19,22-26,28H,2-3,5-13,16-17,20-21H2,1H3/b15-14+.
What are the key properties of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene?
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene has a molecular weight of 392.67 g/mol, XLogP of 9.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene is sourced from PubChem (CID 173068307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).