Ethyl-9-hexadecenoate
Basic information
- CAS
54546-22-4- Standard SMILES
CCCCCCC=CCCCCCCCC(=O)OCC- InChIKey
JELGPLUONQGOHF-UHFFFAOYSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Overview
ethyl hexadec-9-enoate has been reported in Vitex negundo var. cannabifolia, Carica papaya, and Mangifera indica with data available.
Names & identifiers
- Preferred name
- Ethyl-9-hexadecenoate
- IUPAC
- ethyl hexadec-9-enoate
- English name
- Ethyl 9-hexadecenoate
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
ethyl-9-hexadecenoateSCHEMBL3581619-Hexacecenoic acid ethyl esterDTXSID6013781279Z- hexadecenoic acid, ethyl esterDB-052872ethyl hexadec-9-enoateEthyl (9E)-9-hexadecenoateHeyadecenoicacidethylester9-Heyadecenoic acid ethyl ester
Database identifiers
- CAS
54546-22-4- PubChem CID
- 92067
- DTXSID
DTXSID601378127
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 135 °C · 135 °C / 1mmHg
- Density
- 0.87 · 0.87
- LogP
- 7.509 · 7.509 (est)
- CAS DataBase Reference
- 54546 · 54546-22-4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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