2,3,3,4,4-pentamethylcyclohexan-1-one

C11H20O — CID 130436364

IUPAC2,3,3,4,4-pentamethylcyclohexan-1-one
SMILESCC1C(=O)CCC(C)(C)C1(C)C
InChIInChI=1S/C11H20O/c1-8-9(12)6-7-10(2,3)11(8,4)5/h8H,6-7H2,1-5H3
InChIKeyGRDDUGWRZUFXLW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds

About 2,3,3,4,4-pentamethylcyclohexan-1-one

2,3,3,4,4-pentamethylcyclohexan-1-one (PubChem CID 130436364) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,3,3,4,4-pentamethylcyclohexan-1-one.

Molecular Properties

Compound Name2,3,3,4,4-pentamethylcyclohexan-1-one
PubChem CID130436364
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,3,3,4,4-pentamethylcyclohexan-1-one
SMILESCC1C(=O)CCC(C)(C)C1(C)C
InChIInChI=1S/C11H20O/c1-8-9(12)6-7-10(2,3)11(8,4)5/h8H,6-7H2,1-5H3
InChIKeyGRDDUGWRZUFXLW-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,3,4,4-pentamethylcyclohexan-1-one 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 2,3,3,4,4-pentamethylcyclohexan-1-one?
The IUPAC name of 2,3,3,4,4-pentamethylcyclohexan-1-one (CID 130436364) is 2,3,3,4,4-pentamethylcyclohexan-1-one.
What is the SMILES notation for 2,3,3,4,4-pentamethylcyclohexan-1-one?
The canonical SMILES for 2,3,3,4,4-pentamethylcyclohexan-1-one is CC1C(=O)CCC(C)(C)C1(C)C.
What is the InChIKey of 2,3,3,4,4-pentamethylcyclohexan-1-one?
The InChIKey is GRDDUGWRZUFXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-9(12)6-7-10(2,3)11(8,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2,3,3,4,4-pentamethylcyclohexan-1-one?
2,3,3,4,4-pentamethylcyclohexan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentamethylcyclohexan-1-one is sourced from PubChem (CID 130436364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).