2-(1-hydroxyethyl)-2-methylcyclohexan-1-one

C9H16O2 — CID 72760492

IUPAC2-(1-hydroxyethyl)-2-methylcyclohexan-1-one
SMILESCC(O)C1(C)CCCCC1=O
InChIInChI=1S/C9H16O2/c1-7(10)9(2)6-4-3-5-8(9)11/h7,10H,3-6H2,1-2H3
InChIKeyPQQOVAPFVVQDHA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds1

About 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one

2-(1-hydroxyethyl)-2-methylcyclohexan-1-one (PubChem CID 72760492) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-2-methylcyclohexan-1-one
PubChem CID72760492
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-hydroxyethyl)-2-methylcyclohexan-1-one
SMILESCC(O)C1(C)CCCCC1=O
InChIInChI=1S/C9H16O2/c1-7(10)9(2)6-4-3-5-8(9)11/h7,10H,3-6H2,1-2H3
InChIKeyPQQOVAPFVVQDHA-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-hydroxyethyl)-2-methylcyclohexan-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

(2R)-2-hydroxy-2-[(1S)-1-methyl-2-oxocyclohexyl]acetic acid
CID 100985136
(2R)-2-[(1R)-1-hydroxybutyl]-2-methylcyclohexan-1-one
CID 13129590
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
(2S)-2-(1-hydroxy-3-phenylprop-2-ynyl)-2-methylcyclohexan-1-one
CID 101389872
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
CID 101389866
2-(1-hydroxyethyl)-2,5,5-trimethylcyclopentan-1-one
CID 130038200
(2S)-2-[(4-chlorophenyl)-hydroxymethyl]-2-methylcyclopentan-1-one
CID 101389876
[(E)-[(2S)-2-[(1R)-1-hydroxyethyl]-2-methylcyclohexylidene]methyl] N,N-di(propan-2-yl)carbamate
CID 134905631
1-methyl-2-oxocycloheptane-1-carboxylic acid
CID 19704452
2,2-di(propan-2-yloxy)cyclohexan-1-one
CID 70147486
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one
CID 163598073

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one?
The IUPAC name of 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one (CID 72760492) is 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one is CC(O)C1(C)CCCCC1=O.
What is the InChIKey of 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one?
The InChIKey is PQQOVAPFVVQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)9(2)6-4-3-5-8(9)11/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one?
2-(1-hydroxyethyl)-2-methylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 72760492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).