chempirical

1,3-Diethyl 2-ethylpropanedioate

C9H16O4CAS 133-13-1188.22 g/mol

Open in Covalent MOL file
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Ester

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
Density
1.004 g/mL (at 20 °C)
Melting point
202 °C
Boiling point
208 °C
logP
1.14Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
133-13-1
SMILES
CCOC(=O)C(CC)C(=O)OCC
InChIKey
VQAZCUCWHIIFGE-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Propanedioic acid, 2-ethyl-, 1,3-diethyl ester
  • Malonic acid, ethyl-, diethyl ester
  • Propanedioic acid, ethyl-, diethyl ester
  • Diethyl ethylmalonate
  • Diethyl 2-ethylmalonate
  • Diethyl α-ethylmalonate
  • Ethylpropanedioic acid diethyl ester
  • NSC 8706
  • 2-Ethylmalonic acid diethyl ester

Work with 1,3-Diethyl 2-ethylpropanedioate

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

Ethyl 2-ethylacetoacetate607-97-674 % similar Ethyl isobutyrate97-62-164 % similar Diethyl isobutylmalonate10203-58-463 % similar Propylmalonic acid diethyl ester2163-48-663 % similar Ethyl 2-methylbutanoate7452-79-163 % similar Diethyl succinylsuccinate787-07-563 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-363 % similar Ethyl α-bromobutyrate533-68-661 % similar

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

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 Dipropylmalonic acid1636-27-7 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 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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