chempirical

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

C6H8O2CAS 80-71-7112.13 g/mol

Open in Covalent MOL file
HOO
AlkeneKetone

Properties

Molecular formula
C6H8O2
Molar mass
112.13 g/mol
Exact mass
112.0524 Da
Melting point
73–85 °C
Boiling point
100–102 °C (at 20 Torr)
logP
1.18Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
80-71-7
SMILES
CC1=C(O)C(=O)CC1
InChIKey
CFAKWWQIUFSQFU-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-
  • Cyclotene
  • Cycloten
  • 2-Hydroxy-3-methyl-2-cyclopentenone
  • Corylon
  • 3-Methylcyclopent-2-en-2-ol-1-one
  • Corylone
  • 3-Methyl-2-hydroxy-2-cyclopentenone
  • 2-Hydroxy-1-methylcyclopenten-3-one
  • Maple lactone
  • Cyclotene (odorant)
  • NSC 133445
  • NSC 84226
  • 2-Hydroxy-3-methyl-2-cyclopentene-1-one
  • MCP
  • 2-Hydroxy-1-methyl-1-cyclopentene-3-one
  • 3-Methyl-2-hydroxy-2-cyclopenten-1-one

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-Ethyl-2-hydroxy-2-cyclopenten-1-one21835-01-850 % similar Dihydrojasmone1128-08-141 % similar 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-140 % similar Jasmone488-10-838 % similar Alpha-ketovaleric acid1821-02-933 % similar Alpha-ketoisocaproic acid816-66-032 % similar α-Ketobutyric acid600-18-031 % similar Dimethyl 2-oxoglutarate13192-04-630 % 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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