Basic information
- CAS
745-33-5- Standard SMILES
CCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
KEZCZZBMMHJFMN-UHFFFAOYSA-N- Molecular formula
- C20H32N2O3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.24129289
Names & identifiers
- Preferred name
- Barbituric acid, 5-butyl-1,3-dicyclohexyl-
- IUPAC
- 5-butyl-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Butyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
5-Butyl-1,3-dicyclohexylbarbituric acidBRN 0763582BARBITURIC ACID, 5-BUTYL-1,3-DICYCLOHEXYL-5-Butyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione745-33-52,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-1,3-dicyclohexyl-DTXSID602254995-24-09-00132 (Beilstein Handbook Reference)RefChem:320782DTXCID101479905-butyl-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
745-33-5- PubChem CID
- 12941
- DTXSID
DTXSID60225499- Nikkaji
- J93.533F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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