[2-(3-Oxobutanoyloxy)-3-prop-2-enoxypropyl] 3-oxobutanoate
Basic information
- CAS
77376-18-2- Standard SMILES
C=CCOCC(COC(=O)CC(C)=O)OC(=O)CC(C)=O- InChIKey
OIXNSZFKABMIDN-UHFFFAOYSA-N- Molecular formula
- C14H20O7
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.12090297
Names & identifiers
- Preferred name
- [2-(3-Oxobutanoyloxy)-3-prop-2-enoxypropyl] 3-oxobutanoate
- IUPAC
- [2-(3-oxobutanoyloxy)-3-prop-2-enoxypropyl] 3-oxobutanoate
Names & synonyms
SCHEMBL11121411NS00058454
Database identifiers
- CAS
77376-18-2- PubChem CID
- 53471822
- Nikkaji
- J309.385I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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