Diethyl dibutylmalonate

C15H28O4CAS 596-75-8272.38 g/mol

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Ester

Properties

Molecular formula
C15H28O4
Molar mass
272.38 g/mol
Exact mass
272.1988 Da
Boiling point
153–154 °C (at 14 Torr)
logP
3.48Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
596-75-8
SMILES
CCCCC(CCCC)(C(=O)OCC)C(=O)OCC
InChIKey
WHKKUUPZLWUOIW-UHFFFAOYSA-N
InChI
InChI=1S/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3

Weigh it out

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

Names and synonyms

7 names
  • Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester
  • Malonic acid, dibutyl-, diethyl ester
  • Propanedioic acid, dibutyl-, diethyl ester
  • NSC 8913
  • Dibutylmalonic acid diethyl ester
  • Diethyl 2,2-dibutylmalonate
  • 1,3-Diethyl 2,2-dibutylpropanedioate

Work with Diethyl dibutylmalonate

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-cyclobutanedicarboxylate3779-29-181 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-078 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-073 % similar Ethyl 2,2-difluorohexanoate74106-81-366 % similar Diethylmalonic acid diethyl ester77-25-859 % similar Ethyl 1-acetylcyclopropanecarboxylate32933-03-256 % similar Diethyl bis(2-cyanoethyl)malonate1444-05-956 % similar Diethyl bis(hydroxymethyl)malonate20605-01-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentadecanedioic acid1460-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook