Ethyl 4-methoxy-3-oxobutanoate

C7H12O4CAS 66762-68-3160.17 g/mol

Open in Covalent MOL file
OOOO
EsterEtherKetone

Properties

Molecular formula
C7H12O4
Molar mass
160.17 g/mol
Exact mass
160.0736 Da
logP
0.16Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

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
66762-68-3
SMILES
CCOC(=O)CC(=O)COC
InChIKey
CMKOJBYFNYDATH-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-3-11-7(9)4-6(8)5-10-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl 4-methoxy-3-oxo-butanoate

Work with Ethyl 4-methoxy-3-oxobutanoate

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

Diethyl 1,3-acetonedicarboxylate105-50-070 % similar Ethyl 2-methoxyacetate3938-96-368 % similar Methyl 4-methoxyacetoacetate41051-15-463 % similar Ethyl 3-oxopentanoate4949-44-463 % similar Ethyl 4-bromoacetoacetate13176-46-059 % similar Ethyl 3-oxohexanoate3249-68-159 % similar Ethyl 4-chloroacetoacetate638-07-359 % similar Tetronic acid4971-56-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 Dimethyl (R)-(+)-methylsuccinate22644-27-5 1,3-Dimethyl 2-ethylpropanedioate26717-67-9 Poly(glyceryl methacrylate)28474-30-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook