1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene

C34H52 — CID 20538885

IUPAC1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
SMILESCCCCCCCCCCC1CCC(c2ccc(-c3ccc(CC(C)CCC)cc3)cc2)CC1
InChIInChI=1S/C34H52/c1-4-6-7-8-9-10-11-12-14-29-15-19-31(20-16-29)33-23-25-34(26-24-33)32-21-17-30(18-22-32)27-28(3)13-5-2/h17-18,21-26,28-29,31H,4-16,19-20,27H2,1-3H3
InChIKeySPFDSBUAJAYVER-UHFFFAOYSA-N
MW460.79 g/mol
LogP11.14
Rot. Bonds15

About 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene

1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene (PubChem CID 20538885) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
PubChem CID20538885
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
SMILESCCCCCCCCCCC1CCC(c2ccc(-c3ccc(CC(C)CCC)cc3)cc2)CC1
InChIInChI=1S/C34H52/c1-4-6-7-8-9-10-11-12-14-29-15-19-31(20-16-29)33-23-25-34(26-24-33)32-21-17-30(18-22-32)27-28(3)13-5-2/h17-18,21-26,28-29,31H,4-16,19-20,27H2,1-3H3
InChIKeySPFDSBUAJAYVER-UHFFFAOYSA-N
XLogP11.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 511.14
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-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20539044
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-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985

Frequently Asked Questions

What is the IUPAC name of 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
The IUPAC name of 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene (CID 20538885) is 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene.
What is the SMILES notation for 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
The canonical SMILES for 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene is CCCCCCCCCCC1CCC(c2ccc(-c3ccc(CC(C)CCC)cc3)cc2)CC1.
What is the InChIKey of 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
The InChIKey is SPFDSBUAJAYVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52/c1-4-6-7-8-9-10-11-12-14-29-15-19-31(20-16-29)33-23-25-34(26-24-33)32-21-17-30(18-22-32)27-28(3)13-5-2/h17-18,21-26,28-29,31H,4-16,19-20,27H2,1-3H3.
What are the key properties of 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene has a molecular weight of 460.79 g/mol, XLogP of 11.14, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene is sourced from PubChem (CID 20538885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).