2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-
Basic information
- CAS
101513-14-8- Standard SMILES
CC(=O)OC(C=C(C)C=O)OC(C)=O- InChIKey
ZONLFTZQOACGCL-UHFFFAOYSA-N- Molecular formula
- C9H12O5
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.06847348
Names & identifiers
- Preferred name
- 2-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-
- IUPAC
- (1-acetyloxy-3-methyl-4-oxobut-2-enyl) acetate
Names & synonyms
101513-14-82-Butenal, 4,4-bis(acetyloxy)-2-methyl-, (Z)-SCHEMBL4795863DTXSID602758933-Formylbut-2-ene-1,1-diyl diacetateNS00090678
Database identifiers
- CAS
101513-14-8、85030-54-2- PubChem CID
- 92085
- DTXSID
DTXSID60275893
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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