Molecule ID: 5271566

IUPAC Name: diethyl (Z)-but-2-enedioate

Description: The molecule is a maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10鈩? with boiling point 220鈩?at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. It has a role as a glutathione depleting agent. It is a maleate ester and an ethyl ester. It derives from an ethanol.

SMILES: CCOC(=O)/C=C\C(=O)OCC

SELFIES: [C][C][O][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][O][C][C]

InChI: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 0.9