Basic information
- Standard SMILES
CCn1cnc2c1c(=O)n(CCCCCC(C)(C)O)c(=O)n2CC- InChIKey
DCNOIACCWMKLHB-UHFFFAOYSA-N- Molecular formula
- C17H28N4O3
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- 3,7-Diethyl-1-(6-hydroxy-6-methylheptyl)-xanthine
- IUPAC
- 3,7-diethyl-1-(6-hydroxy-6-methylheptyl)purine-2,6-dione
Names & synonyms
SCHEMBL9055007DCNOIACCWMKLHB-UHFFFAOYSA-N3,7-diethyl-1-(6-hydroxy-6-methylheptyl)-xanthine
Database identifiers
- PubChem CID
- 9862599
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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