Basic information
- Standard SMILES
CCCC=CCCC(=O)OCC- InChIKey
WRUZCQAJIHSQPL-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Ethyl oct-4-enoate
- IUPAC
- ethyl oct-4-enoate
Names & synonyms
ethyl oct-4-enoateDTXSID20865719RefChem:596345DTXCID10814094NOCAS_865719Ethyl 4-octenoate4-Octenoic acid, ethyl ester138234-61-4SCHEMBL710344WRUZCQAJIHSQPL-UHFFFAOYSA-NDB-085248Q27159743
Database identifiers
- PubChem CID
- 61934
- DTXSID
DTXSID20865719
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Related reactions
2 records
Compound notes
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