chempirical

1,3-Diethyl 2-ethylidenepropanedioate

C9H14O4CAS 1462-12-0186.21 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C9H14O4
Molar mass
186.21 g/mol
Exact mass
186.0892 Da
Density
1.0425 g/mL (at 20 °C)
Boiling point
116–118 °C (at 20 Torr)
logP
1.06Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
1462-12-0
SMILES
CC=C(C(=O)OCC)C(=O)OCC
InChIKey
LBBAWVLUOZVYCC-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Propanedioic acid, 2-ethylidene-, 1,3-diethyl ester
  • Malonic acid, ethylidene-, diethyl ester
  • Propanedioic acid, ethylidene-, diethyl ester
  • Ethylidenemalonic acid diethyl ester
  • Diethyl ethylidene malonate
  • Ethyl 2-ethoxycarbonyl-2-butenoate
  • Ethylidenepropanedioic acid diethyl ester
  • NSC 1084
  • Diethyl 2-ethylidenemalonate
  • 2-Ethylidenemalonic acid diethyl ester

Reactions

Work with 1,3-Diethyl 2-ethylidenepropanedioate

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 tiglate5837-78-564 % similar Diethyl (ethoxymethylene)malonate87-13-861 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-456 % similar Diethyl benzylidenemalonate5292-53-550 % similar Ethyl 2-oxobutanoate15933-07-048 % similar Ethyl oxalyl chloride4755-77-548 % similar Ethyl oxamate617-36-748 % similar Ethyl trans-crotonate623-70-148 % similar

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

Same formula

trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-0 Diethyl 1,1-cyclopropanedicarboxylate1559-02-0 1,1-Cyclopentanediacetic acid16713-66-9 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-1 Ethyl 2-(ethoxymethylene)acetoacetate3788-94-1

Elsewhere

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