Diethyl methylidenemalonate

C8H12O4CAS 3377-20-6172.18 g/mol

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AlkeneEster

Properties

Molecular formula
C8H12O4
Molar mass
172.18 g/mol
Exact mass
172.0736 Da
logP
0.67Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 23 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number
3377-20-6
SMILES
CCOC(=O)C(=C)C(=O)OCC
InChIKey
BQHDXNZNSPVVKB-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3

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Names and synonyms

17 names · show all
  • Diethyl 2-methylidenepropanedioate
  • 1,3-Diethyl 2-methylenepropanedioate
  • DEMM
  • Diethyl 2-methylenemalonate
  • Diethyl methylenemalonate
  • Propanedioic acid, methylene-, diethyl ester
  • Propanedioic acid, 2-methylene-, 1,3-diethyl ester
  • Ethyl methylenemalonate
  • 1,1-Dicarbethoxyethene
  • Methylene diethylmalonate
  • Diethyl2-methylenemalonate
  • Malonic acid, methylene-, diethyl ester
  • Diethyl methylene-malonate
  • Diethyl methylidenepropanedioate
  • Diethyl 2-methylenepropanedioate
  • 2-Methylene-propanedioic acid diethyl ester
  • Propanedioic acid, 2-methylene-, diethyl ester

Reactions

Work with Diethyl methylidenemalonate

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 oxalate95-92-167 % similar Ethyl methacrylate97-63-262 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-461 % similar Ethyl cyanoacrylate7085-85-059 % similar Diethyl oxomalonate609-09-658 % similar Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-655 % similar 2-(Bromomethyl)acrylic acid ethyl ester17435-72-255 % similar Ethyl pyruvate617-35-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Cyclohexanedicarboxylic acid1076-97-7 Ethyl 2,4-dioxohexanoate13246-52-1 Diethyl maleate141-05-9 1,2-Cyclohexanedicarboxylic acid1687-30-5 cis-1,3-Cyclohexanedicarboxylic acid2305-31-9 (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-0 cis-1,4-Diacetoxy-2-butene25260-60-0 (3aR,4S,5R,6aS)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one32233-40-2

Elsewhere

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