1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone

C11H20O2 — CID 15747683

IUPAC1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone
SMILESCC(=O)C1C(C)CCC(C)(O)C1C
InChIInChI=1S/C11H20O2/c1-7-5-6-11(4,13)8(2)10(7)9(3)12/h7-8,10,13H,5-6H2,1-4H3
InChIKeyPZYPAHALIWPLDO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds1

About 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone

1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone (PubChem CID 15747683) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone
PubChem CID15747683
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone
SMILESCC(=O)C1C(C)CCC(C)(O)C1C
InChIInChI=1S/C11H20O2/c1-7-5-6-11(4,13)8(2)10(7)9(3)12/h7-8,10,13H,5-6H2,1-4H3
InChIKeyPZYPAHALIWPLDO-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone 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

1,2,3-trimethylcyclopentan-1-ol
CID 23077337
1-[(3S,3aS,5R,8R,8aS)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]ethanone
CID 11447439
(1S,2S,5R)-2-acetyl-5-methylcyclopentane-1-carboxylic acid
CID 131165134
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
ethane;1-[(2S)-3,6,6-trimethyl-2-bicyclo[3.1.0]hexanyl]ethanone
CID 143360983
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
(1S,2R,3S)-3-[(5S)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 53244060
1-[(2R,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone;1-[(2S,4aR,8S,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone
CID 161105965
1-[(2S,4aR,8R,8aR)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]ethanone
CID 146509778
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
CID 130685696

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone?
The IUPAC name of 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone (CID 15747683) is 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone?
The canonical SMILES for 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone is CC(=O)C1C(C)CCC(C)(O)C1C.
What is the InChIKey of 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone?
The InChIKey is PZYPAHALIWPLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7-5-6-11(4,13)8(2)10(7)9(3)12/h7-8,10,13H,5-6H2,1-4H3.
What are the key properties of 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone?
1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone has a molecular weight of 184.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,3,6-trimethylcyclohexyl)ethanone is sourced from PubChem (CID 15747683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).