3-Ethyl-2,4-pentanedione

C₇H₁₂O₂CAS 1540-34-7128.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Density: 0.953 g/mL (at 20 °C)
Melting point: 132–133 °C
Boiling point: 178.5 °C
logP: 1.19Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

1540-34-7

SMILES

CCC(C(C)=O)C(C)=O

InChIKey

GUARKOVVHJSMRW-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

2,4-Pentanedione, 3-ethyl-
3-Ethylacetylacetone
3-Acetyl-2-pentanone
γ-Ethylacetylacetone
NSC 73741

Work with 3-Ethyl-2,4-pentanedione

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-ethylacetoacetate607-97-659 % similar 3-Methyl-2-pentanone565-61-757 % similar 3-Mercapto-2-pentanone67633-97-054 % similar 2-Ethyl-1,3-cyclopentanedione823-36-948 % similar Ethylmalonic acid601-75-246 % similar 2-Acetylcyclopentanone1670-46-844 % similar 2-Acetylbutyrolactone517-23-743 % similar 2-Acetylcyclohexanone874-23-743 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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