1,3-Dimethyl 2-ethylpropanedioate

C₇H₁₂O₄CAS 26717-67-9160.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₄
Molar mass: 160.17 g/mol
Exact mass: 160.0736 Da
Density: 1.1 g/mL
Boiling point: 178–179 °C
logP: 0.36Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

26717-67-9

SMILES

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

InChIKey

XGRMVENQJLQMLT-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Propanedioic acid, 2-ethyl-, 1,3-dimethyl ester
Malonic acid, ethyl-, dimethyl ester
Propanedioic acid, ethyl-, dimethyl ester
Dimethyl ethylmalonate
Dimethyl 2-ethylmalonate

Work with 1,3-Dimethyl 2-ethylpropanedioate

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

Same formula

Diethyl malonate105-53-3 Monoethyl glutarate1070-62-8 Pimelic acid111-16-0 Dimethyl glutarate1119-40-0 2-Methoxyethyl 3-oxobutanoate22502-03-0 Poly(glyceryl methacrylate)28474-30-8 (±)-3-Methyladipic acid3058-01-3 1-Methyl 2,2-dimethylbutanedioate32980-26-0

Elsewhere

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