chempirical

1,3-Diethyl 2,2-dipropylpropanedioate

C13H24O4CAS 6065-63-0244.33 g/mol

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Ester

Properties

Molecular formula
C13H24O4
Molar mass
244.33 g/mol
Exact mass
244.1675 Da
Boiling point
127 °C (at 4 Torr)
logP
2.70Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
8

Identifiers

CAS number
6065-63-0
SMILES
CCCC(CCC)(C(=O)OCC)C(=O)OCC
InChIKey
NNDOHYGFLASMFR-UHFFFAOYSA-N
InChI
InChI=1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • Propanedioic acid, 2,2-dipropyl-, 1,3-diethyl ester
  • Malonic acid, dipropyl-, diethyl ester
  • Propanedioic acid, dipropyl-, diethyl ester
  • Diethyl dipropylmalonate
  • Diethyl 2,2-dipropylmalonate
  • NSC 163902

Work with 1,3-Diethyl 2,2-dipropylpropanedioate

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 1,1-cyclopropanedicarboxylate1559-02-079 % similar Diethyl dibutylmalonate596-75-878 % similar Diethyl bis(2-cyanoethyl)malonate1444-05-965 % similar Diethylmalonic acid diethyl ester77-25-863 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-455 % similar Ethyl pivalate3938-95-254 % similar Diethyl diallylmalonate3195-24-253 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-952 % similar

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

Same formula

Brassylic acid505-52-2 Diethyl azelate624-17-9

Elsewhere

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