Basic information
- CAS
1577-52-2- Standard SMILES
CCCCCC=CCC=CCCCCCCCCO- InChIKey
JXNPEDYJTDQORS-UHFFFAOYSA-N- Molecular formula
- C18H34O
- Average molar mass
- 266.5 g/mol
- Monoisotopic mass
- 266.2609657
Names & identifiers
- Preferred name
- 9,12-Octadecadien-1-ol, (9Z,12Z)-
- IUPAC
- octadeca-9,12-dien-1-ol
- English name
- linoleyl alcohol
- Molecular formula
- C18H34O
- Molecular weight
- 266.46
Names & synonyms
Cis,Cis-Octadeca-9,12-dienol1577-52-2octadeca-9,12-dien-1-ol9,12-Octadecadien-1-ol, (9Z,12Z)-octadeca-9,12-dienolSCHEMBL810909orb1940180SCHEMBL1739834DTXSID00862069AKOS0281089739,12-Octadecadien-1-ol;octadeca-9,12-dien-1-ol9,12-Octadecadien-1-ol
Show more names
(Z/E)9-12-LINOELAIDYLLinoleyl Alcohol((Z/E)Linoleyl Alcohol((Z/E)-9,12)(Z/E)-9,12-octadecadien-1-ol(Z/E)-octadeca-9,12-dien-1-ol(Z/E)9-12-LINOELAIDYL ALCOHOL(Z/E)-octadecane-9,12-dien-1-ol
Database identifiers
- CAS
1577-52-2- PubChem CID
- 68168
- DTXSID
DTXSID00862069
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 374.037 · 374.037±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.858 · 0.858±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.196 · 15.196±0.10(predicted)
- LogP
- 5.059 · 5.059 (est)
Chemistry & industry
Suppliers1 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Related reactions
5 records
Compound notes
Loading…