2-Hydroxy-3-methyl-2-cyclopenten-1-one

C₆H₈O₂CAS 765-70-8112.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈O₂
Molar mass: 112.13 g/mol
Exact mass: 112.0524 Da
Melting point: 104.5 °C
logP: 0.55Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

765-70-8

SMILES

CC1CCC(=O)C1=O

InChIKey

OACYKCIZDVVNJL-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1,2-Cyclopentanedione, 3-methyl-
3-Methyl-1,2-cyclopentanedione
3-Methyl-1,2-cyclopentadione

Work with 2-Hydroxy-3-methyl-2-cyclopenten-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethyl-1,2-cyclopentanedione13494-07-046 % similar 3,5,5-Trimethyl-1,2-cyclohexanedione57696-89-645 % similar 2-Methylcyclopentanone1120-72-539 % similar 2-Methylcyclohexanone583-60-838 % similar 2-Methylglutaric acid18069-17-538 % similar 2,6-Dimethylcyclohexanone2816-57-137 % similar 3,4-Dimethyl-1,2-cyclopentanedione13494-06-937 % similar (±)-3-Methyl-2-oxovaleric acid1460-34-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 5-Methyl-2-furanmethanol3857-25-8

Elsewhere

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