3-Hexadecenoic acid
Basic information
- CAS
2457-70-7- Standard SMILES
CCCCCCCCCCCCC=CCC(=O)O- InChIKey
PCBKWKNYISJGPJ-UHFFFAOYSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Overview
hexadec-3-enoic acid has been reported in Aster alpinus with data available.
Names & identifiers
- Preferred name
- 3-Hexadecenoic acid
- IUPAC
- hexadec-3-enoic acid
Names & synonyms
hexadec-3-enoic aciddelta(3)-Hexadecenoic acid3-Hexadecenoic acid2457-70-7(3E)-3-hexadecenoic acid3-Hexadecenoic acid, (3E)-SCHEMBL407961DTXSID501315629DS-004844
Database identifiers
- CAS
2457-70-7- PubChem CID
- 97748
- DTXSID
DTXSID501315629
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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