6-Octadecen-1-ol, (E)-
Basic information
- CAS
62972-94-5- Standard SMILES
CCCCCCCCCCC/C=C/CCCCCO- InChIKey
TVPWKOCQOFBNML-OUKQBFOZSA-N- Molecular formula
- C18H36O
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.27661577
Names & identifiers
- Preferred name
- 6-Octadecen-1-ol, (E)-
- IUPAC
- (E)-octadec-6-en-1-ol
- English name
- 6-Octadecen-1-ol, (E)- (9CI)
- Molecular formula
- C18H36O
- Molecular weight
- 268.48
Names & synonyms
6-Octadecen-1-ol, (E)-62972-94-5RefChem:3092196(E)-Octadecenol(E)-octadec-6-en-1-ol6-Octadecen-1-ol, (6Z)-6-octadecenolSCHEMBL4337891SCHEMBL10445314TVPWKOCQOFBNML-OUKQBFOZSA-NDTXSID101314548(6E)-OCTADEC-6-EN-1-OL
Show more names
6 PETROSELAIDYLoctadec-6-en-1-olPetrosilinalkoholoctadec-6t-en-1-olOctadec-trans-6-en-1-ol6 PETROSELAIDYL ALCOHOL6-Octadecen-1-ol, (E)- (9CI)Petroselaidyl Alcohol(C18:1T)Octadec-6-enol
BP-41350HY-166002
Database identifiers
- CAS
62972-94-5- PubChem CID
- 6174178
- DTXSID
DTXSID101314548
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 42 · 42-43 °C
- Boiling point
- 361.7 · 361.7±11.0 °C(Predicted)
- Density
- 0.847 · 0.847±0.06 g/cm3(Predicted)
- pka
- 15.18 · 15.18±0.10(Predicted)
Chemistry & industry
Applications
Uses6(E)-Octadecenol is an ester product.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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