chempirical

Diethyl (ethoxymethylene)malonate

C10H16O5CAS 87-13-8216.23 g/mol

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AlkeneEsterEther

Properties

Molecular formula
C10H16O5
Molar mass
216.23 g/mol
Exact mass
216.0998 Da
Melting point
67–68 °C
Boiling point
108–110 °C (at 0.25 Torr)
logP
1.03Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Identifiers

CAS number
87-13-8
SMILES
CCOC=C(C(=O)OCC)C(=O)OCC
InChIKey
LTMHNWPUDSTBKD-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3

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Names and synonyms

19 names · show all
  • Diethyl (ethoxymethylene)propanedioate
  • Propanedioic acid, 2-(ethoxymethylene)-, 1,3-diethyl ester
  • Malonic acid, (ethoxymethylene)-, diethyl ester
  • Propanedioic acid, (ethoxymethylene)-, diethyl ester
  • Diethyl 2-(ethoxymethylene)malonate
  • (Ethoxymethylene)malonic acid diethyl ester
  • 2-Ethoxy-1,1-bis(ethoxycarbonyl)ethene
  • (Ethoxymethylene)propanedioic acid diethyl ester
  • Diethyl ethoxymethylidenemalonate
  • NSC 62117
  • NSC 9068
  • Diethyl[(ethyloxy)methylidene]propanedioate
  • Ethyl 3-ethoxy-2-(ethoxymethylene)-3-oxopropanoate
  • 2-(Ethoxymethylene)malonic acid diethyl ester
  • Diethyl 2-(ethoxymethylidene)propanedioate
  • Diethyl 2-(ethoxymethylene)propanedioate
  • Diethyl 2-[(ethyloxy)methylidene]propanedioate
  • Diethyl 2-ethoxymethylidene malonate
  • 1,3-Diethyl 2-(ethoxymethylidene)propanedioate

Work with Diethyl (ethoxymethylene)malonate

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

Ethyl 2-(ethoxymethylene)acetoacetate3788-94-176 % similar Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate571-55-167 % similar Diethyl oxalate95-92-158 % similar Ethyl (ethoxymethylene)cyanoacetate94-05-358 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-454 % similar Diethyl oxomalonate609-09-652 % similar Diethyl benzylidenemalonate5292-53-549 % similar Ethyl pyruvate617-35-648 % similar

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

Same formula

Diethyl 2-acetylsuccinate1115-30-6

Elsewhere

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