Basic information
- CAS
4102-62-9- Standard SMILES
CCCCCC=CCC#CCCCCCCCC(=O)O- InChIKey
RMTOAADQWGMDKX-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- Octadec-12-en-9-ynoic acid
- IUPAC
- octadec-12-en-9-ynoic acid
Names & synonyms
octadec-12-en-9-ynoic acid4102-62-9DTXSID50785653
Database identifiers
- CAS
4102-62-9- PubChem CID
- 71362010
- DTXSID
DTXSID50785653
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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