Basic information
- Standard SMILES
CCCC12COC(c3ccccn3)(OC1)OC2- InChIKey
UMITZCBTRFQREF-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
Names & identifiers
- Preferred name
- 4-n-Propyl-1-(2-pyridyl)-2,6,7-trioxabicyclo[2.2.2]octane
- IUPAC
- 2-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyridine
Names & synonyms
SCHEMBL9796696UMITZCBTRFQREF-UHFFFAOYSA-N4-n-Propyl-1-(2-pyridyl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 19992018
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
1 records
Compound notes
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