(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone

C23H40O — CID 59938817

IUPAC(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
SMILESCC1CCC(CCC2CCC(C(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H40O/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)23(24)21-13-5-18(2)6-14-21/h17-22H,3-16H2,1-2H3
InChIKeyZJBJARXLFPEVQY-UHFFFAOYSA-N
MW332.57 g/mol
LogP6.79
Rot. Bonds5

About (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone

(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone (PubChem CID 59938817) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
PubChem CID59938817
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
SMILESCC1CCC(CCC2CCC(C(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H40O/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)23(24)21-13-5-18(2)6-14-21/h17-22H,3-16H2,1-2H3
InChIKeyZJBJARXLFPEVQY-UHFFFAOYSA-N
XLogP6.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone (CID 59938817) is (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone is CC1CCC(CCC2CCC(C(=O)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone?
The InChIKey is ZJBJARXLFPEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)23(24)21-13-5-18(2)6-14-21/h17-22H,3-16H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone?
(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone has a molecular weight of 332.57 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone is sourced from PubChem (CID 59938817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).