1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene

C34H46 — CID 20538151

IUPAC1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
SMILESCCCCCC1CC=C(c2ccc(-c3ccc(C4=CCC(CC(C)CC)CC4)cc3)cc2)CC1
InChIInChI=1S/C34H46/c1-4-6-7-8-27-9-13-29(14-10-27)31-17-21-33(22-18-31)34-23-19-32(20-24-34)30-15-11-28(12-16-30)25-26(3)5-2/h13,15,17-24,26-28H,4-12,14,16,25H2,1-3H3
InChIKeyWPJCRHJEZXXWCT-UHFFFAOYSA-N
MW454.74 g/mol
LogP10.74
Rot. Bonds10

About 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene

1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene (PubChem CID 20538151) has the molecular formula C34H46 and a molecular weight of 454.74 g/mol. Its IUPAC name is 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene.

Molecular Properties

Compound Name1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
PubChem CID20538151
Molecular FormulaC34H46
Molecular Weight454.74 g/mol
Exact Mass454.36
IUPAC Name1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
SMILESCCCCCC1CC=C(c2ccc(-c3ccc(C4=CCC(CC(C)CC)CC4)cc3)cc2)CC1
InChIInChI=1S/C34H46/c1-4-6-7-8-27-9-13-29(14-10-27)31-17-21-33(22-18-31)34-23-19-32(20-24-34)30-15-11-28(12-16-30)25-26(3)5-2/h13,15,17-24,26-28H,4-12,14,16,25H2,1-3H3
InChIKeyWPJCRHJEZXXWCT-UHFFFAOYSA-N
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 510.74
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-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
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
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
4-(4-heptylcyclohexen-1-yl)benzenethiol
CID 173376322
1-(4-ethylcyclohexyl)-4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]benzene
CID 20538412
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
4-(4-octylcyclohexen-1-yl)benzonitrile
CID 70571980
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
1-(4-butylcyclohexen-1-yl)-4-(4-nonylcyclohexyl)benzene
CID 20538204
2-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene?
The IUPAC name of 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene (CID 20538151) is 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene.
What is the SMILES notation for 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene?
The canonical SMILES for 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene is CCCCCC1CC=C(c2ccc(-c3ccc(C4=CCC(CC(C)CC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene?
The InChIKey is WPJCRHJEZXXWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46/c1-4-6-7-8-27-9-13-29(14-10-27)31-17-21-33(22-18-31)34-23-19-32(20-24-34)30-15-11-28(12-16-30)25-26(3)5-2/h13,15,17-24,26-28H,4-12,14,16,25H2,1-3H3.
What are the key properties of 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene?
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene has a molecular weight of 454.74 g/mol, XLogP of 10.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene is sourced from PubChem (CID 20538151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).