1,3-Dimethyl 2-(2-methylpropyl)propanedioate

C₉H₁₆O₄CAS 39520-24-6188.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O₄
Molar mass: 188.22 g/mol
Exact mass: 188.1049 Da
Boiling point: 101 °C (at 13 Torr)
logP: 0.99Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

39520-24-6

SMILES

COC(=O)C(CC(C)C)C(=O)OC

InChIKey

GAZFDPSEEIVCEX-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3

Weigh it out

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

Names and synonyms

4 names

Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester
Propanedioic acid, (2-methylpropyl)-, dimethyl ester
Dimethyl isobutylmalonate
Dimethyl 2-isobutylmalonate

Work with 1,3-Dimethyl 2-(2-methylpropyl)propanedioate

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

Methyl isobutyrate547-63-758 % similar Leucine methyl ester hydrochloride7517-19-358 % similar 1,3-Dimethyl 2-ethylpropanedioate26717-67-958 % similar Diethyl isobutylmalonate10203-58-457 % similar Dimethyl succinylsuccinate6289-46-956 % similar Dimethyl methylmalonate609-02-952 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-152 % similar Methyl 2-methylpentanoate2177-77-750 % similar

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

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dipropylmalonic acid1636-27-7 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3

Elsewhere

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