2-(3-hydroxypropyl)-3-methylcyclopentan-1-one

C9H16O2 — CID 130036338

IUPAC2-(3-hydroxypropyl)-3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1CCCO
InChIInChI=1S/C9H16O2/c1-7-4-5-9(11)8(7)3-2-6-10/h7-8,10H,2-6H2,1H3
InChIKeyCMYXANHEULMTEX-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one

2-(3-hydroxypropyl)-3-methylcyclopentan-1-one (PubChem CID 130036338) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3-methylcyclopentan-1-one
PubChem CID130036338
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3-hydroxypropyl)-3-methylcyclopentan-1-one
SMILESCC1CCC(=O)C1CCCO
InChIInChI=1S/C9H16O2/c1-7-4-5-9(11)8(7)3-2-6-10/h7-8,10H,2-6H2,1H3
InChIKeyCMYXANHEULMTEX-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-but-3-ynyl-3-methylcyclopentan-1-one
CID 11275107
(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
CID 117069569
3-methyl-2-(methylsulfonylmethyl)cyclopentan-1-one
CID 18738791
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
trans-(2R,3R)-2-(4-hydroxybutyl)-3-[(E)-prop-1-enyl]cyclohexan-1-one
CID 11252811
2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal
CID 10241447
cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 163487392
ethane-1,2-diol;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
CID 154944035
2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one
CID 89355792
3-oxo-2-pentylcyclopentane-1-carboxylate
CID 21443730
2-(2-butyl-3-oxocyclopentyl)propanoic acid
CID 154943990
methyl 7-(2-acetyl-5-oxocyclopentyl)heptanoate
CID 12997158

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one?
The IUPAC name of 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one (CID 130036338) is 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one is CC1CCC(=O)C1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one?
The InChIKey is CMYXANHEULMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-5-9(11)8(7)3-2-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one?
2-(3-hydroxypropyl)-3-methylcyclopentan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 130036338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).