Basic information
- CAS
746-52-1- Standard SMILES
CCCC(C)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
CAVKMJKZGHQJLC-UHFFFAOYSA-N- Molecular formula
- C21H34N2O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.25694295
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-(1-methylbutyl)-
- IUPAC
- 1,3-dicyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dicyclohexyl-5-(1-methylbutyl)barbituric acid
- Molecular formula
- C21H34N2O3
- Molecular weight
- 362.51
Names & synonyms
746-52-1BARBITURIC ACID, 1,3-DICYCLOHEXYL-5-(1-METHYLBUTYL)-RefChem:1077472BRN 07642141,3-Dicyclohexyl-5-(1-methylbutyl)barbituric acid1,3-Dicyclohexyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID509961061,3-Dicyclohexyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-(1-methylbutyl)-
Database identifiers
- CAS
746-52-1- PubChem CID
- 12944
- DTXSID
DTXSID50996106- Nikkaji
- J54.559G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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