Basic information
- CAS
67046-05-3- Standard SMILES
CCCC[N+]1([O-])CCOCC1- InChIKey
RZZOSSSBINRZCX-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- 4-Butyl-4-oxo-1,4lambda~5~-oxazinane
- IUPAC
- 4-butyl-4-oxidomorpholin-4-ium
Names & synonyms
67046-05-3NSC2918894-Butyl-4-oxo-1,4lambda~5~-oxazinaneSCHEMBL3751959SCHEMBL8846944DTXSID90315094NSC-291889
Database identifiers
- CAS
67046-05-3- PubChem CID
- 324907
- DTXSID
DTXSID90315094
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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