Dibutyl but-2-enedioate

HCID 7774CAS 82807-35-0

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Basic information

Standard SMILES: CCCCOC(=O)C=CC(=O)OCCCC
InChIKey: JBSLOWBPDRZSMB-UHFFFAOYSA-N
Molecular formula: C12H20O4
Average molar mass: 228.28 g/mol
Monoisotopic mass: 228.13615911

Names & identifiers

Preferred name: Dibutyl but-2-enedioate
IUPAC: dibutyl but-2-enedioate

Names & synonyms

dibutyl but-2-enedioate82807-35-0DTXSID50859186RefChem:1083392DTXCID90809665dibutylmaleat-SCHEMBL281542-butenedioic acid dibutylesterorb13065022_butenedioic acid dibutyl esterJBSLOWBPDRZSMB-UHFFFAOYSA-NAKOS025243605

Show more names

DB-040653DB-040654

Database identifiers

CAS: 82807-35-0
PubChem CID: 7774
DTXSID: DTXSID50859186

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 16
Formal charge: 0
Complexity: 209

Related reactions

5 records

New reaction record

HRID 816895As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1045247As reactantuspto-grants-2013_10

HRID 1174423As reactantuspto-grants-2010_11

HRID 1230078As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2135172As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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