Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
DXOKIOIPKWXSLH-UHFFFAOYSA-N- Molecular formula
- C25H42N4O2
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.3307766
Names & identifiers
- Preferred name
- 1-(9-Octadecenyl)-3,7-dimethylxanthine
- IUPAC
- 3,7-dimethyl-1-octadec-9-enylpurine-2,6-dione
Names & synonyms
SCHEMBL7994674DXOKIOIPKWXSLH-UHFFFAOYSA-N1-(9-octadecenyl)-3,7-dimethylxanthine
Database identifiers
- PubChem CID
- 53784555
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 566
Related reactions
8 records
Compound notes
Loading…