8-(Decyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
5429-49-2- Standard SMILES
CCCCCCCCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
AJSUMYOVGNYYOJ-UHFFFAOYSA-N- Molecular formula
- C18H30N4O3
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.23179083
Names & identifiers
- Preferred name
- 8-(Decyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 8-decoxy-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
5429-49-28-(decyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC14148DTXSID80279797NSC-14148
Database identifiers
- CAS
5429-49-2- PubChem CID
- 225074
- DTXSID
DTXSID80279797
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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