Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)Oc1cc(OC(=O)CCCCCCCCCCCCCCCCC)c(Cl)cn1- InChIKey
NHYKZEOOHOUKLM-UHFFFAOYSA-N- Molecular formula
- C41H72ClNO4
- Average molar mass
- 678.5 g/mol
- Monoisotopic mass
- 677.5149875
Names & identifiers
- Preferred name
- 5-Chloro-2,4-distearoyloxypyridine
- IUPAC
- (5-chloro-2-octadecanoyloxy-4-pyridinyl) octadecanoate
Names & synonyms
SCHEMBL9670651NHYKZEOOHOUKLM-UHFFFAOYSA-N5-chloro-2,4-distearoyloxypyridine
Database identifiers
- PubChem CID
- 14049593
Properties
Computed structural properties
- XLogP
- 18.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 36
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 705
Related reactions
1 records
Compound notes
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