Basic information
- CAS
743-43-1- Standard SMILES
C=CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
VTHNOHNTKWFDGT-UHFFFAOYSA-N- Molecular formula
- C19H28N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20999276
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1,3-dicyclohexyl-
- IUPAC
- 1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C19H28N2O3
- Molecular weight
- 332.44
Names & synonyms
5-Allyl-1,3-dicyclohexylbarbituric acidBRN 0763691BARBITURIC ACID, 5-ALLYL-1,3-DICYCLOHEXYL-743-43-15-Allyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-allyl-1,3-dicyclohexyl-DTXSID602253135-24-09-00215 (Beilstein Handbook Reference)RefChem:320732DTXCID601478041,3-DICYCLOHEXYL-5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-(2-propen-1-yl)-
Database identifiers
- CAS
743-43-1- PubChem CID
- 12936
- DTXSID
DTXSID60225313- Nikkaji
- J84.831J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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