2-Ethyl-1,3-cyclopentanedione

C₇H₁₀O₂CAS 823-36-9126.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
Melting point: 173–175 °C
logP: 0.94Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

823-36-9

SMILES

CCC1C(=O)CCC1=O

InChIKey

YDFBIBUYOUFJMR-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3

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

Names and synonyms

1 names

1,3-Cyclopentanedione, 2-ethyl-

Work with 2-Ethyl-1,3-cyclopentanedione

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-2,4-pentanedione1540-34-748 % similar Ethylmalonic acid601-75-246 % similar 2-Methyl-3-hexanone7379-12-644 % similar 1,3-Dimethyl 2-ethylpropanedioate26717-67-942 % similar Ethyl isopropyl ketone565-69-542 % similar 2-Methyl-3-heptanone13019-20-041 % similar 1,3-Diethyl 2-ethylpropanedioate133-13-141 % similar 4-Hydroxy-3-hexanone4984-85-441 % 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-cyclopentanedione13494-06-9 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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