Basic information
- Standard SMILES
CCCCCCCc1ccc(-c2ccc(OCCCCCCCCC3CCCC3)cc2)nc1- InChIKey
TUBVMTZXCXHHPM-UHFFFAOYSA-N- Molecular formula
- C31H47NO
- Average molar mass
- 449.7 g/mol
Names & identifiers
- Preferred name
- 5-Heptyl-2-[4-(8-cyclopentyl-octyloxy)-phenyl]-pyridine
- IUPAC
- 2-[4-(8-cyclopentyloctoxy)phenyl]-5-heptylpyridine
Names & synonyms
SCHEMBL7751434TUBVMTZXCXHHPM-UHFFFAOYSA-N5-heptyl-2-[4-(8-cyclopentyl-octyloxy)-phenyl]-pyridine
Database identifiers
- PubChem CID
- 19083541
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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