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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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 cyclopropane-1,1-dicarboxylate1559-02-079 % similar Diethyl dibutylmalonate596-75-878 % similar Diethyl 1,1-cyclobutanedicarboxylate3779-29-173 % similar Diethyl bis(2-cyanoethyl)malonate1444-05-965 % similar Diethylmalonic acid diethyl ester77-25-863 % similar Ethyl 1-acetylcyclopropanecarboxylate32933-03-260 % similar Diethyl bis(hydroxymethyl)malonate20605-01-059 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-455 % 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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