(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one

C9H16O2 — CID 58072083

IUPAC(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
SMILESCC(C)C(O)[C@H]1CCC(=O)C1
InChIInChI=1S/C9H16O2/c1-6(2)9(11)7-3-4-8(10)5-7/h6-7,9,11H,3-5H2,1-2H3/t7-,9?/m0/s1
InChIKeyLKNYDBIYHZQBRE-JAVCKPHESA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds2

About (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one

(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one (PubChem CID 58072083) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
PubChem CID58072083
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
SMILESCC(C)C(O)[C@H]1CCC(=O)C1
InChIInChI=1S/C9H16O2/c1-6(2)9(11)7-3-4-8(10)5-7/h6-7,9,11H,3-5H2,1-2H3/t7-,9?/m0/s1
InChIKeyLKNYDBIYHZQBRE-JAVCKPHESA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-hydroxyethyl)cyclopentan-1-one
CID 76687141
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
formic acid;3-(1-hydroxyethyl)cyclopentan-1-one
CID 174506059
1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol
CID 130128150
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
CID 11629667
2-(3-oxocyclopentyl)propanenitrile
CID 13075149
tert-butyl N-[1-(3-oxocyclopentyl)ethyl]carbamate
CID 178200958
4-(1-hydroxy-2-methylpropyl)oxolan-2-one
CID 74342868
cis-(3S,4R)-3,4-di(propan-2-yl)cyclohexan-1-one
CID 121421968
3-(1-methylsulfanylprop-2-enyl)cyclopentan-1-one
CID 12715926
(3R)-3-(1-chloro-2-ethyl-2-methylbutyl)cyclopentan-1-one
CID 156690578

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one?
The IUPAC name of (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one (CID 58072083) is (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one.
What is the SMILES notation for (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one?
The canonical SMILES for (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one is CC(C)C(O)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one?
The InChIKey is LKNYDBIYHZQBRE-JAVCKPHESA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)9(11)7-3-4-8(10)5-7/h6-7,9,11H,3-5H2,1-2H3/t7-,9?/m0/s1.
What are the key properties of (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one?
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one is sourced from PubChem (CID 58072083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).