3-Ethyl-2-hydroxy-2-cyclopenten-1-one

C₇H₁₀O₂CAS 21835-01-8126.15 g/mol

Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
Melting point: 38–40 °C
Boiling point: 78–80 °C (at 4 Torr)
logP: 1.57Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Not classified as hazardous under GHS by 1,448 ECHA notifiers. Aggregated from 1,448 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

21835-01-8

SMILES

CCC1=C(O)C(=O)CC1

InChIKey

JHWFWLUAUPZUCP-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O2/c1-2-5-3-4-6(8)7(5)9/h9H,2-4H2,1H3

Weigh it out

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

Names and synonyms

5 names

2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-
Ethylcyclotene
3-Ethyl-2-cyclopenten-2-ol-1-one
2-Hydroxy-3-ethyl-2-cyclopentenone
2-Hydroxy-3-ethyl-2-cyclopenten-1-one

Work with 3-Ethyl-2-hydroxy-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

2-Hydroxy-3-methyl-2-cyclopenten-1-one80-71-750 % similar α-Ketobutyric acid600-18-043 % similar 3,4-Hexanedione4437-51-842 % similar Propionic acid79-09-437 % similar Alpha-ketovaleric acid1821-02-935 % similar 1,2-Cyclobutanedione33689-28-035 % similar Acetylpropionyl600-14-634 % similar Ammonium propionate17496-08-133 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8

Elsewhere

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