chempirical

Ethyl 2-oxovalerate

C7H12O3CAS 50461-74-0144.17 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Density
0.9965 g/mL (at 18 °C)
Boiling point
182.5 °C
logP
0.92Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
50461-74-0
SMILES
CCCC(=O)C(=O)OCC
InChIKey
YERWBBMSDMSDKT-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Ethyl 2-oxopentanoate
  • Pentanoic acid, 2-oxo-, ethyl ester
  • Valeric acid, 2-oxo-, ethyl ester
  • 2-Oxopentanoic acid ethyl ester

Work with Ethyl 2-oxovalerate

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-oxobutanoate15933-07-063 % similar Ethyl bromopyruvate70-23-559 % similar Diethyl oxalate95-92-158 % similar Ethyl 7-chloro-2-oxoheptanoate78834-75-058 % similar Diethyl oxalacetate108-56-557 % similar Ethyl alpha-oxobenzenebutanoate64920-29-256 % similar Ethyl 2,4-dioxovalerate615-79-255 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-454 % similar

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

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1

Elsewhere

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