Basic information
- CAS
166664-87-5- Standard SMILES
C#CCCCCCCC=CCCCCCCCC(=O)O- InChIKey
GUWNXWGQBCLLBN-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 9-Octadecen-17-ynoic acid
- IUPAC
- octadec-9-en-17-ynoic acid
Names & synonyms
9-Octadecen-17-ynoic acid166664-87-5RefChem:313223Octadec-9-en-17-ynoic acidoctadeca-9 ene-17-ynoic acidSCHEMBL8071169DTXSID201312490
Database identifiers
- CAS
166664-87-5- PubChem CID
- 178100
- DTXSID
DTXSID201312490
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…