Basic information
- Standard SMILES
CC(=O)OC=CCCOC(C)=O- InChIKey
VIRPYONDKXQHHU-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- 1,4-Diacetoxybutene
- IUPAC
- 4-acetyloxybut-3-enyl acetate
Names & synonyms
1,4-diacetoxybutene1,4-butenediol diacetateSCHEMBL74778VIRPYONDKXQHHU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 537670
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Related reactions
3 records
Compound notes
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