Diethylmalonic acid diethyl ester

C11H20O4CAS 77-25-8216.28 g/mol

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Ester

Properties

Molecular formula
C11H20O4
Molar mass
216.28 g/mol
Exact mass
216.1362 Da
Density
0.989 g/mL (at 20 °C)
Boiling point
230 °C
logP
1.92Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
77-25-8
SMILES
CCOC(=O)C(CC)(CC)C(=O)OCC
InChIKey
ZKBBUZRGPULIRN-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • Propanedioic acid, 2,2-diethyl-, 1,3-diethyl ester
  • Malonic acid, diethyl-, diethyl ester
  • Propanedioic acid, diethyl-, diethyl ester
  • Diethyl diethylmalonate
  • Diethyl 3,3-pentanedicarboxylate
  • Diethyl 2,2-diethylmalonate
  • NSC 8710
  • 1,3-Diethyl 2,2-diethylpropanedioate

Work with Diethylmalonic acid diethyl ester

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl cyclopropane-1,1-dicarboxylate1559-02-071 % similar Diethyl 1,1-cyclobutanedicarboxylate3779-29-165 % similar Diethyl ethylisoamylmalonate77-24-765 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-963 % similar Diethyl bis(hydroxymethyl)malonate20605-01-063 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-063 % similar Ethyl 1-acetylcyclopropanecarboxylate32933-03-259 % similar Diethyl dibutylmalonate596-75-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl isobutylmalonate10203-58-4 1,3-Diethyl 2-butylpropanedioate133-08-4 Dimethyl azelate1732-10-1 Neopentyl glycol diglycidyl ether17557-23-2 Undecanedioic acid1852-04-6 Diethyl pimelate2050-20-6 2,2,6,6-Tetramethylpimelic acid2941-45-9 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-2

Elsewhere

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