chempirical

Dimethyl diethylmalonate

C9H16O4CAS 27132-23-6188.22 g/mol

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Ester

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
logP
1.14Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
27132-23-6
SMILES
CCC(CC)(C(=O)OC)C(=O)OC
InChIKey
AYBLPISRXMEMBV-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-5-9(6-2,7(10)12-3)8(11)13-4/h5-6H2,1-4H3

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

Names and synonyms

5 names
  • Propanedioic acid, 2,2-diethyl-, 1,3-dimethyl ester
  • Malonic acid, diethyl-, dimethyl ester
  • Propanedioic acid, diethyl-, dimethyl ester
  • Dimethyl 2,2-diethylmalonate
  • 1,3-Dimethyl 2,2-diethylpropanedioate

Work with Dimethyl diethylmalonate

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

Dimethyl 1,1-cyclopropanedicarboxylate6914-71-265 % similar Diethylmalonic acid diethyl ester77-25-858 % similar 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-652 % similar Methyl pivalate598-98-148 % similar Dimethyl difluoromalonate379-95-346 % similar Methyl trifluoroacetate431-47-046 % similar Methyl trichloroacetate598-99-246 % similar Methyl 3-hydroxy-2,2-dimethylpropanoate14002-80-343 % 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 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3 1-Ethyl heptanedioate33018-91-6

Elsewhere

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