Diethyl 2-butenedioate

HCID 12201CAS 1520-50-9

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Basic information

Standard SMILES: CCOC(=O)C=CC(=O)OCC
InChIKey: IEPRKVQEAMIZSS-UHFFFAOYSA-N
Molecular formula: C8H12O4
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.07355886

Overview

See also: Diethyl Maleate (annotation moved to).

Names & identifiers

Preferred name: Diethyl 2-butenedioate
IUPAC: diethyl but-2-enedioate

Names & synonyms

Diethyl 2-butenedioate1520-50-9DTXSID8048151RefChem:337818DTXCID4028125diethyl but-2-enedioate2-Butenedioic acid, diethyl ester2-Butenedioic acid (2Z)-, 1,4-diethyl esterDiethyl-2-butenedioatebis(ethoxycarbonyl)ethyleneSCHEMBL43033butenedioic acid diethyl ester

Show more names

SCHEMBL5559092IEPRKVQEAMIZSS-UHFFFAOYSA-Ns4712AKOS025243721DB-054151

Database identifiers

CAS: 1520-50-9
PubChem CID: 12201
DTXSID: DTXSID8048151

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Related reactions

15 records

New reaction record

HRID 36498As productuspto-grants-1995_05

HRID 92379As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111421As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 148162As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 149828As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 160989As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 184237As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 302900As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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