4-Oxo-4-pentadecyl-1,4lambda~5~-oxazinane
Basic information
- CAS
67046-11-1- Standard SMILES
CCCCCCCCCCCCCCC[N+]1([O-])CCOCC1- InChIKey
JPXHJKWEQRBBLK-UHFFFAOYSA-N- Molecular formula
- C19H39NO2
- Average molar mass
- 313.5 g/mol
- Monoisotopic mass
- 313.29807949
Names & identifiers
- Preferred name
- 4-Oxo-4-pentadecyl-1,4lambda~5~-oxazinane
- IUPAC
- 4-oxido-4-pentadecylmorpholin-4-ium
Names & synonyms
67046-11-1NSC2918974-Oxo-4-pentadecyl-1,4lambda~5~-oxazinaneSCHEMBL28236332DTXSID60315102NSC-291897
Database identifiers
- CAS
67046-11-1- PubChem CID
- 324915
- DTXSID
DTXSID60315102
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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