chempirical

1,3-Diethyl 2-(1-methylethylidene)propanedioate

C10H16O4CAS 6802-75-1200.23 g/mol

Open in Covalent MOL file
OOOO
AlkeneEster

Properties

Molecular formula
C10H16O4
Molar mass
200.23 g/mol
Exact mass
200.1049 Da
Density
1.0254 g/mL (at 25 °C)
Melting point
93–94 °C
Boiling point
176.5 °C
logP
1.45Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
6802-75-1
SMILES
CCOC(=O)C(C(=O)OCC)=C(C)C
InChIKey
WEISAZNMMVPNTH-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h5-6H2,1-4H3

Weigh it out

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

Names and synonyms

11 names
  • Propanedioic acid, 2-(1-methylethylidene)-, 1,3-diethyl ester
  • Malonic acid, isopropylidene-, diethyl ester
  • Propanedioic acid, (1-methylethylidene)-, diethyl ester
  • Diethyl isopropylidenemalonate
  • Diethyl 2-(1-methylethylidene)propanedioate
  • NSC 127864
  • NSC 408244
  • Diethyl 2-(1-methylethylidene)malonate
  • Diethyl 2-isopropylidenemalonate
  • 1,3-Diethyl 2-(propan-2-ylidene)propanedioate
  • Diethyl 2-(propan-2-ylidene)malonate

Work with 1,3-Diethyl 2-(1-methylethylidene)propanedioate

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

1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-473 % similar Ethyl methacrylate97-63-254 % similar Ethyl 2-oxobutanoate15933-07-050 % similar Ethyl oxalyl chloride4755-77-550 % similar Ethyl tiglate5837-78-550 % similar Ethyl oxamate617-36-750 % similar Hantzsch ester1149-23-147 % similar Ethyl N,N-dimethyloxamate16703-52-947 % similar

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

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 D-Camphoric acid124-83-4 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4 Diethyl allylmalonate2049-80-1 1,4-Dipropyl (2Z)-2-butenedioate2432-63-5 Ethyl 4-acetyl-5-oxohexanoate2832-10-2 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2 Diethyl 1,1-cyclobutanedicarboxylate3779-29-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook