Basic information
- Standard SMILES
COc1c(OCC2(C)COCOC2)cc[n+]([O-])c1C- InChIKey
DBIRPYXJUOSXEI-UHFFFAOYSA-N- Molecular formula
- C13H19NO5
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.12632271
Names & identifiers
- Preferred name
- 3-Methoxy-2-methyl-4-(5-methyl-1,3-dioxan-5-yl-methoxy)pyridine-N-oxide
- IUPAC
- 3-methoxy-2-methyl-4-[(5-methyl-1,3-dioxan-5-yl)methoxy]-1-oxidopyridin-1-ium
Names & synonyms
SCHEMBL9267401DBIRPYXJUOSXEI-UHFFFAOYSA-N3-Methoxy-2-methyl-4-(5-methyl-1,3-dioxan-5-yl-methoxy)pyridine-N-oxide
Database identifiers
- PubChem CID
- 19926441
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Related reactions
2 records
Compound notes
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