1-(1-hydroxy-4-methylcyclohexyl)ethanone

C9H16O2 — CID 54078464

IUPAC1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC(=O)C1(O)CCC(C)CC1
InChIInChI=1S/C9H16O2/c1-7-3-5-9(11,6-4-7)8(2)10/h7,11H,3-6H2,1-2H3
InChIKeyFSDCTSSMIIXBHA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds1

About 1-(1-hydroxy-4-methylcyclohexyl)ethanone

1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 54078464) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID54078464
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC(=O)C1(O)CCC(C)CC1
InChIInChI=1S/C9H16O2/c1-7-3-5-9(11,6-4-7)8(2)10/h7,11H,3-6H2,1-2H3
InChIKeyFSDCTSSMIIXBHA-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

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Related Compounds

4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450673
1-[(1R,3R)-1-hydroxy-3-(hydroxyamino)cyclopentyl]ethanone
CID 167029061
1-(1-hydroxy-4-methylcyclohexyl)hex-5-yn-1-one
CID 103450893
1-(4-hydroxy-1,1-dimethylpiperidin-1-ium-4-yl)ethanone
CID 166474322
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918
(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone
CID 130971362
3,9-dimethylspiro[5.5]undecane
CID 20825106
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 54078464) is 1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 1-(1-hydroxy-4-methylcyclohexyl)ethanone is CC(=O)C1(O)CCC(C)CC1.
What is the InChIKey of 1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is FSDCTSSMIIXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-3-5-9(11,6-4-7)8(2)10/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-methylcyclohexyl)ethanone?
1-(1-hydroxy-4-methylcyclohexyl)ethanone 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 1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 54078464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).