1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

C31H42 — CID 20538092

IUPAC1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C31H42/c1-3-5-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(6-4-2)9-13-26/h12,16-25,27H,3-11,13-15H2,1-2H3
InChIKeyDJTIZNOOWAZJAA-UHFFFAOYSA-N
MW414.68 g/mol
LogP9.80
Rot. Bonds8

About 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene (PubChem CID 20538092) has the molecular formula C31H42 and a molecular weight of 414.68 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
PubChem CID20538092
Molecular FormulaC31H42
Molecular Weight414.68 g/mol
Exact Mass414.33
IUPAC Name1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C31H42/c1-3-5-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(6-4-2)9-13-26/h12,16-25,27H,3-11,13-15H2,1-2H3
InChIKeyDJTIZNOOWAZJAA-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
CID 20538143
1-(4-methylcyclohexyl)-4-(4-propylcyclohexen-1-yl)benzene
CID 20538302
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
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-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene (CID 20538092) is 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene is CCCCC1CCC(c2ccc(-c3ccc(C4=CCC(CCC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
The InChIKey is DJTIZNOOWAZJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42/c1-3-5-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(6-4-2)9-13-26/h12,16-25,27H,3-11,13-15H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene?
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene has a molecular weight of 414.68 g/mol, XLogP of 9.80, 8 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-(4-propylcyclohexen-1-yl)phenyl]benzene is sourced from PubChem (CID 20538092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).