1-(4-butylcyclohexen-1-yl)-4-hexylbenzene

C22H34 — CID 54268995

IUPAC1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
SMILESCCCCCCc1ccc(C2=CCC(CCCC)CC2)cc1
InChIInChI=1S/C22H34/c1-3-5-7-8-10-20-13-17-22(18-14-20)21-15-11-19(12-16-21)9-6-4-2/h13-15,17-19H,3-12,16H2,1-2H3
InChIKeyRIVDYCYXPAZVOB-UHFFFAOYSA-N
MW298.51 g/mol
LogP7.18
Rot. Bonds9

About 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene

1-(4-butylcyclohexen-1-yl)-4-hexylbenzene (PubChem CID 54268995) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene.

Molecular Properties

Compound Name1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
PubChem CID54268995
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
SMILESCCCCCCc1ccc(C2=CCC(CCCC)CC2)cc1
InChIInChI=1S/C22H34/c1-3-5-7-8-10-20-13-17-22(18-14-20)21-15-11-19(12-16-21)9-6-4-2/h13-15,17-19H,3-12,16H2,1-2H3
InChIKeyRIVDYCYXPAZVOB-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 57.18
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-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene?
The IUPAC name of 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene (CID 54268995) is 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene.
What is the SMILES notation for 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene?
The canonical SMILES for 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene is CCCCCCc1ccc(C2=CCC(CCCC)CC2)cc1.
What is the InChIKey of 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene?
The InChIKey is RIVDYCYXPAZVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-3-5-7-8-10-20-13-17-22(18-14-20)21-15-11-19(12-16-21)9-6-4-2/h13-15,17-19H,3-12,16H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene?
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene has a molecular weight of 298.51 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexen-1-yl)-4-hexylbenzene is sourced from PubChem (CID 54268995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).