Basic information
- CAS
101098-71-9- Standard SMILES
CC(C)CCCC(C)CCC1C(=O)NC(=O)NC1=O- InChIKey
LTNFEXOLEMCQMK-UHFFFAOYSA-N- Molecular formula
- C14H24N2O3
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.17869263
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-
- IUPAC
- 5-(3,7-dimethyloctyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
101098-71-92,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-NSC1265595-(3,7-dimethyloctyl)-1,3-diazinane-2,4,6-trioneSCHEMBL12588552DTXSID30298857NSC-126559
Database identifiers
- CAS
101098-71-9- PubChem CID
- 277643
- DTXSID
DTXSID30298857- Nikkaji
- J1.041.614K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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