1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene

C24H38 — CID 20538217

IUPAC1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H38/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h15-22H,3-14H2,1-2H3
InChIKeyQJXMQRRGPBTCJH-UHFFFAOYSA-N
MW326.57 g/mol
LogP7.83
Rot. Bonds6

About 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene

1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene (PubChem CID 20538217) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
PubChem CID20538217
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(C3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C24H38/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h15-22H,3-14H2,1-2H3
InChIKeyQJXMQRRGPBTCJH-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 57.83
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-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene (CID 20538217) is 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(C3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
The InChIKey is QJXMQRRGPBTCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38/c1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21/h15-22H,3-14H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene?
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene has a molecular weight of 326.57 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 20538217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).