1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene

C30H50 — CID 20538404

IUPAC1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
SMILESCCCCCCCCC1CCC(c2ccc(C3CCC(CCCC)CC3)cc2)CC1
InChIInChI=1S/C30H50/c1-3-5-7-8-9-10-12-26-15-19-28(20-16-26)30-23-21-29(22-24-30)27-17-13-25(14-18-27)11-6-4-2/h21-28H,3-20H2,1-2H3
InChIKeyZSCGYBLXGOMHGK-UHFFFAOYSA-N
MW410.73 g/mol
LogP10.18
Rot. Bonds12

About 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene

1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene (PubChem CID 20538404) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
PubChem CID20538404
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
SMILESCCCCCCCCC1CCC(c2ccc(C3CCC(CCCC)CC3)cc2)CC1
InChIInChI=1S/C30H50/c1-3-5-7-8-9-10-12-26-15-19-28(20-16-26)30-23-21-29(22-24-30)27-17-13-25(14-18-27)11-6-4-2/h21-28H,3-20H2,1-2H3
InChIKeyZSCGYBLXGOMHGK-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene (CID 20538404) is 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene is CCCCCCCCC1CCC(c2ccc(C3CCC(CCCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene?
The InChIKey is ZSCGYBLXGOMHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50/c1-3-5-7-8-9-10-12-26-15-19-28(20-16-26)30-23-21-29(22-24-30)27-17-13-25(14-18-27)11-6-4-2/h21-28H,3-20H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene?
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene has a molecular weight of 410.73 g/mol, XLogP of 10.18, 12 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-octylcyclohexyl)benzene is sourced from PubChem (CID 20538404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).