Isobutyl (E)-4-oxo-2-butenoate

HCID 10057752
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Basic information

Standard SMILES
CC(C)COC(=O)/C=C/C=O
InChIKey
XBYQWDDMVAKFOF-ONEGZZNKSA-N
Molecular formula
C8H12O3
Average molar mass
156.18 g/mol
Monoisotopic mass
156.07864424

Names & identifiers

Preferred name
Isobutyl (E)-4-oxo-2-butenoate
IUPAC
2-methylpropyl (E)-4-oxobut-2-enoate

Names & synonyms

Isobutyl (E)-4-oxo-2-butenoateXBYQWDDMVAKFOF-ONEGZZNKSA-N

Database identifiers

PubChem CID
10057752

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
11

Related reactions

5 records
New reaction record

Compound notes

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