4-Octyl-4-oxo-1,4lambda~5~-oxazinane
Basic information
- CAS
67046-08-6- Standard SMILES
CCCCCCCC[N+]1([O-])CCOCC1- InChIKey
BGOJJTMQQAKVNB-UHFFFAOYSA-N- Molecular formula
- C12H25NO2
- Average molar mass
- 215.33 g/mol
- Monoisotopic mass
- 215.18852904
Names & identifiers
- Preferred name
- 4-Octyl-4-oxo-1,4lambda~5~-oxazinane
- IUPAC
- 4-octyl-4-oxidomorpholin-4-ium
Names & synonyms
67046-08-6NSC2918924-Octyl-4-oxo-1,4lambda~5~-oxazinaneSCHEMBL12423850DTXSID70315097NSC-291892
Database identifiers
- CAS
67046-08-6- PubChem CID
- 324910
- DTXSID
DTXSID70315097
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…