Basic information
- CAS
71978-07-9- Standard SMILES
CC/C=C/CCCCOC(C)=O- InChIKey
NBYQSRDPBAVRDT-SNAWJCMRSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 5-Octenyl acetate, (5E)-
- IUPAC
- [(E)-oct-5-enyl] acetate
Names & synonyms
5-Octenyl acetate, (5E)-JG1753IJ6M5-Octen-1-ol, acetate, (E)-UNII-JG1753IJ6M71978-07-9
Database identifiers
- CAS
71978-07-9- PubChem CID
- 14748845
- UNII
- JG1753IJ6M
- Nikkaji
- J2.368.122F
Properties
Computed structural properties
- XLogP
- 2.6
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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