Basic information
- CAS
22117-08-4- Standard SMILES
CCCCCC=CCC=CCC=CCCCC(=O)OC- InChIKey
SINQXHSEFNZZNO-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 5,8,11-Heptadecatrienoic acid, methyl ester
- IUPAC
- methyl heptadeca-5,8,11-trienoate
- English name
- 5,8,11-Heptadecatrienoic acid methyl ester
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
DTXSID9033842022117-08-45,8,11-Heptadecatrienoic acid, methyl esterRefChem:298911DTXCID50289505methyl heptadeca-5,8,11-trienoate5,8,11-Heptadecatrienoic acid methyl ester
Database identifiers
- CAS
22117-08-4- PubChem CID
- 549012
- DTXSID
DTXSID90338420
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 360.452 · 360.452±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.898 · 0.898±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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