2,2,6-trimethylcyclohexan-1-one

C9H16O — CID 17000

IUPAC2,2,6-trimethylcyclohexan-1-one
SMILESCC1CCCC(C)(C)C1=O
InChIInChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
InChIKeyZPVOLGVTNLDBFI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds

About 2,2,6-trimethylcyclohexan-1-one

2,2,6-trimethylcyclohexan-1-one (PubChem CID 17000) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name2,2,6-trimethylcyclohexan-1-one
PubChem CID17000
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2,6-trimethylcyclohexan-1-one
SMILESCC1CCCC(C)(C)C1=O
InChIInChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
InChIKeyZPVOLGVTNLDBFI-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,6-trimethylcyclohexan-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

Related Compounds

Menthone
CID 26447
3,3,5-Trimethylcyclohexanone
CID 13398
(+)-Isomenthone
CID 70962
p-Menthan-3-one
CID 6986
Isomenthone, (+-)-
CID 6432469
4-tert-Butylcyclohexanone
CID 7392
2-sec-Butyl cyclohexanone
CID 61771
(+)-Menthone
CID 443159
4-Propylcyclohexanone
CID 142482
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
CID 10362
4-tert-Pentylcyclohexanone
CID 27941
3,5,5-Trimethyl-1,2-cyclohexanedione
CID 93772

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethylcyclohexan-1-one?
The IUPAC name of 2,2,6-trimethylcyclohexan-1-one (CID 17000) is 2,2,6-trimethylcyclohexan-1-one.
What is the SMILES notation for 2,2,6-trimethylcyclohexan-1-one?
The canonical SMILES for 2,2,6-trimethylcyclohexan-1-one is CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2,6-trimethylcyclohexan-1-one?
The InChIKey is ZPVOLGVTNLDBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,6-trimethylcyclohexan-1-one?
2,2,6-trimethylcyclohexan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 17000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).