4-cyclohexylbutylcyclohexane

C16H30 — CID 22546

IUPAC4-cyclohexylbutylcyclohexane
SMILESC1CCC(CCCCC2CCCCC2)CC1
InChIInChI=1S/C16H30/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKeyUWSSRUCETFDRMI-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.71
Rot. Bonds5

About 4-cyclohexylbutylcyclohexane

4-cyclohexylbutylcyclohexane (PubChem CID 22546) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 4-cyclohexylbutylcyclohexane.

Molecular Properties

Compound Name4-cyclohexylbutylcyclohexane
PubChem CID22546
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name4-cyclohexylbutylcyclohexane
SMILESC1CCC(CCCCC2CCCCC2)CC1
InChIInChI=1S/C16H30/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKeyUWSSRUCETFDRMI-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-cyclohexylbutylcyclohexane 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

Bicyclohexyl
CID 7094
Decylcyclohexane
CID 15713
Cyclohexane, tetradecyl-
CID 15715
Bicyclo(3.3.1)nonane
CID 136101
Tridecylcyclohexane
CID 22327
Hexadecylcyclohexane
CID 23250
Undecylcyclohexane
CID 40997
Dodecylcyclohexane
CID 15714
1-Cyclohexyloctadecane
CID 20514
Cyclohexane, 1-(cyclohexylmethyl)-4-methyl-, trans-
CID 41201
1,2-Dicyclohexylethane
CID 76838
1,1'-Bicyclohexyl, 2-methyl-, cis-
CID 142801

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutylcyclohexane?
The IUPAC name of 4-cyclohexylbutylcyclohexane (CID 22546) is 4-cyclohexylbutylcyclohexane.
What is the SMILES notation for 4-cyclohexylbutylcyclohexane?
The canonical SMILES for 4-cyclohexylbutylcyclohexane is C1CCC(CCCCC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexylbutylcyclohexane?
The InChIKey is UWSSRUCETFDRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-14H2.
What are the key properties of 4-cyclohexylbutylcyclohexane?
4-cyclohexylbutylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutylcyclohexane is sourced from PubChem (CID 22546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).