Basic information
- CAS
108224-83-5- Standard SMILES
C=CCCCC(=O)C(CCC=C)C(=O)OC- InChIKey
WOFYILGNNQQPSJ-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- Methyl 2-(but-3-EN-1-YL)-3-oxooct-7-enoate
- IUPAC
- methyl 2-but-3-enyl-3-oxooct-7-enoate
Names & synonyms
108224-83-5METHYL 2-(BUT-3-EN-1-YL)-3-OXOOCT-7-ENOATEDTXSID10553830
Database identifiers
- CAS
108224-83-5- PubChem CID
- 13985409
- DTXSID
DTXSID10553830
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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