10-Hydroxyoctadecan-9-one
Basic information
- CAS
4444-91-1- Standard SMILES
CCCCCCCCC(=O)C(O)CCCCCCCC- InChIKey
YWROTYFPHVSHRS-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Names & identifiers
- Preferred name
- 10-Hydroxyoctadecan-9-one
- IUPAC
- 10-hydroxyoctadecan-9-one
- English name
- 10-hydroxyoctadecan-9-one
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
10-Hydroxyoctadecan-9-one4444-91-1EINECS 224-682-610-hydroxy-octadecan-9-one9-keto-10-hydroxy-octadecaneSCHEMBL11750658DTXSID20963229YWROTYFPHVSHRS-UHFFFAOYSA-NNS0004815810-Hydroxy-9-octadecanone9-Octadecanone, 10-hydroxy-
Database identifiers
- CAS
4444-91-1- PubChem CID
- 107286
- DTXSID
DTXSID20963229- EC Number
- 224-682-6
- Nikkaji
- J205.832D
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 310.1 · 310.1±10.0 °C(Predicted)
- Density
- 0.887 · 0.887±0.06 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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