1-Decyl-1-oxo-1lambda~5~-azepane
Basic information
- CAS
77161-27-4- Standard SMILES
CCCCCCCCCC[N+]1([O-])CCCCCC1- InChIKey
BXVGYCNGQXKKLB-UHFFFAOYSA-N- Molecular formula
- C16H33NO
- Average molar mass
- 255.44 g/mol
- Monoisotopic mass
- 255.25621468
Names & identifiers
- Preferred name
- 1-Decyl-1-oxo-1lambda~5~-azepane
- IUPAC
- 1-decyl-1-oxidoazepan-1-ium
Names & synonyms
77161-27-41-Decyl-1-oxo-1lambda~5~-azepaneNSC291899DTXSID80315104NSC-291899
Database identifiers
- CAS
77161-27-4- PubChem CID
- 324917
- DTXSID
DTXSID80315104
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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