1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene

C23H34 — CID 20538143

IUPAC1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
SMILESCCCCC1CC=C(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/h12,14-20H,3-11,13H2,1-2H3
InChIKeyDQHSBINIVBPKOI-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.35
Rot. Bonds5

About 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene

1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene (PubChem CID 20538143) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
PubChem CID20538143
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
SMILESCCCCC1CC=C(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/h12,14-20H,3-11,13H2,1-2H3
InChIKeyDQHSBINIVBPKOI-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
CID 20538302
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538092
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-methylcyclohexen-1-yl)-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538427
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
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-butylcyclohexen-1-yl)benzonitrile
CID 575809
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene (CID 20538143) is 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene is CCCCC1CC=C(c2ccc(C3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene?
The InChIKey is DQHSBINIVBPKOI-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/h12,14-20H,3-11,13H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene?
1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene has a molecular weight of 310.53 g/mol, XLogP of 7.35, 5 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-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 20538143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).