Basic information
- CAS
3452-05-9- Standard SMILES
CCCC=CCOC(=O)CC- InChIKey
LPWKTEHEFDVAQS-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Hex-2-enyl propanoate
- IUPAC
- hex-2-enyl propanoate
Names & synonyms
hex-2-enyl propanoatetrans-2-HEXENYLPROPIONATE2-hexen-1-ol propanoate2-Hexen-1-ol, propanoateSCHEMBL873463(E)-2-hexen-1-yl propionateDTXSID1013781223452-05-9
Database identifiers
- CAS
3452-05-9- PubChem CID
- 40749
- DTXSID
DTXSID101378122
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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