1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene

C36H60 — CID 57252818

IUPAC1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(CC(CCC3CCC(CCC)CC3)C3CCCCC3)cc2)CC1
InChIInChI=1S/C36H60/c1-3-5-7-11-30-18-23-34(24-19-30)35-25-21-32(22-26-35)28-36(33-12-8-6-9-13-33)27-20-31-16-14-29(10-4-2)15-17-31/h21-22,25-26,29-31,33-34,36H,3-20,23-24,27-28H2,1-2H3
InChIKeyOGERTPRTIDRMHV-UHFFFAOYSA-N
MW492.88 g/mol
LogP11.67
Rot. Bonds13

About 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene

1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene (PubChem CID 57252818) has the molecular formula C36H60 and a molecular weight of 492.88 g/mol. Its IUPAC name is 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene
PubChem CID57252818
Molecular FormulaC36H60
Molecular Weight492.88 g/mol
Exact Mass492.47
IUPAC Name1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(CC(CCC3CCC(CCC)CC3)C3CCCCC3)cc2)CC1
InChIInChI=1S/C36H60/c1-3-5-7-11-30-18-23-34(24-19-30)35-25-21-32(22-26-35)28-36(33-12-8-6-9-13-33)27-20-31-16-14-29(10-4-2)15-17-31/h21-22,25-26,29-31,33-34,36H,3-20,23-24,27-28H2,1-2H3
InChIKeyOGERTPRTIDRMHV-UHFFFAOYSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.88
LogP ≤ 511.67
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

4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
1-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)benzene
CID 18605267
4-[2-cyclohexyl-4-(4-heptylcyclohexyl)butyl]-1,2-difluorobenzene
CID 57043862
1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20539044
1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20538885
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene (CID 57252818) is 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(CC(CCC3CCC(CCC)CC3)C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene?
The InChIKey is OGERTPRTIDRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60/c1-3-5-7-11-30-18-23-34(24-19-30)35-25-21-32(22-26-35)28-36(33-12-8-6-9-13-33)27-20-31-16-14-29(10-4-2)15-17-31/h21-22,25-26,29-31,33-34,36H,3-20,23-24,27-28H2,1-2H3.
What are the key properties of 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene?
1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene has a molecular weight of 492.88 g/mol, XLogP of 11.67, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 57252818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).