1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene

C31H48 — CID 20538103

IUPAC1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
SMILESCCCCCCCC1CC=C(c2ccc(C3=CCC(CCCCCC)CC3)cc2)CC1
InChIInChI=1S/C31H48/c1-3-5-7-9-11-13-27-16-20-29(21-17-27)31-24-22-30(23-25-31)28-18-14-26(15-19-28)12-10-8-6-4-2/h18,20,22-27H,3-17,19,21H2,1-2H3
InChIKeyKDEVTUYURXIARI-UHFFFAOYSA-N
MW420.73 g/mol
LogP10.38
Rot. Bonds13

About 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene

1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene (PubChem CID 20538103) has the molecular formula C31H48 and a molecular weight of 420.73 g/mol. Its IUPAC name is 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
PubChem CID20538103
Molecular FormulaC31H48
Molecular Weight420.73 g/mol
Exact Mass420.38
IUPAC Name1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
SMILESCCCCCCCC1CC=C(c2ccc(C3=CCC(CCCCCC)CC3)cc2)CC1
InChIInChI=1S/C31H48/c1-3-5-7-9-11-13-27-16-20-29(21-17-27)31-24-22-30(23-25-31)28-18-14-26(15-19-28)12-10-8-6-4-2/h18,20,22-27H,3-17,19,21H2,1-2H3
InChIKeyKDEVTUYURXIARI-UHFFFAOYSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
4-(4-octylcyclohexen-1-yl)benzonitrile
CID 70571980
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
CID 20538151
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene?
The IUPAC name of 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene (CID 20538103) is 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene is CCCCCCCC1CC=C(c2ccc(C3=CCC(CCCCCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene?
The InChIKey is KDEVTUYURXIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48/c1-3-5-7-9-11-13-27-16-20-29(21-17-27)31-24-22-30(23-25-31)28-18-14-26(15-19-28)12-10-8-6-4-2/h18,20,22-27H,3-17,19,21H2,1-2H3.
What are the key properties of 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene?
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene has a molecular weight of 420.73 g/mol, XLogP of 10.38, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene is sourced from PubChem (CID 20538103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).