3-Butyl-7-methyl-4-pentyl-3,4-dihydro-2H-pyrano(3,2-c)pyridine-2,5-diol
Basic information
- CAS
59304-64-2- Standard SMILES
CCCCCC1c2c(cc(C)[nH]c2=O)OC(O)C1CCCC- InChIKey
XYEMAWINWUXDNL-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- 3-Butyl-7-methyl-4-pentyl-3,4-dihydro-2H-pyrano(3,2-c)pyridine-2,5-diol
- IUPAC
- 3-butyl-2-hydroxy-7-methyl-4-pentyl-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-5-one
Names & synonyms
59304-64-2NSC288513NSC 2885133-Butyl-7-methyl-4-pentyl-3,4-dihydro-2H-pyrano(3,2-c)pyridine-2,5-diol3-Butyl-7-methyl-4-pentyl-3,4-dihydro-2H-pyrano[3,2-c]pyridine-2,5-diolDTXSID20974734NSC-288513
Database identifiers
- CAS
59304-64-2- PubChem CID
- 324162
- DTXSID
DTXSID20974734
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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