Basic information
- Standard SMILES
CCn1cnc2c1c(=O)n(CCCCC(C)(C)O)c(=O)n2CC- InChIKey
IHOHJMDUZXWZMW-UHFFFAOYSA-N- Molecular formula
- C16H26N4O3
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 3,7-Diethyl-1-(5-hydroxy-5-methylhexyl)-xanthine
- IUPAC
- 3,7-diethyl-1-(5-hydroxy-5-methylhexyl)purine-2,6-dione
Names & synonyms
SCHEMBL9056089IHOHJMDUZXWZMW-UHFFFAOYSA-N3,7-Diethyl-1-(5-hydroxy-5-methylhexyl)-xanthine
Database identifiers
- PubChem CID
- 19819652
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
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