1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene

C23H34 — CID 20538128

IUPAC1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
SMILESCCCCC1CCC(c2ccc(C3=CCC(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/h10,14-19,21H,3-9,11-13H2,1-2H3
InChIKeyDXPGFKJRHLRASZ-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.35
Rot. Bonds5

About 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene

1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene (PubChem CID 20538128) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
PubChem CID20538128
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
SMILESCCCCC1CCC(c2ccc(C3=CCC(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/h10,14-19,21H,3-9,11-13H2,1-2H3
InChIKeyDXPGFKJRHLRASZ-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-methylcyclohexen-1-yl)-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538427
1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
CID 20538143
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-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
CID 20538302
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene (CID 20538128) is 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene is CCCCC1CCC(c2ccc(C3=CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene?
The InChIKey is DXPGFKJRHLRASZ-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/h10,14-19,21H,3-9,11-13H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene?
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)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-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 20538128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).