Basic information
- CAS
4256-27-3- Standard SMILES
C=CCC1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O- InChIKey
UPDYLGKTEALMFT-UHFFFAOYSA-N- Molecular formula
- C13H18N2O4
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.12665706
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-(4-hydroxycyclohexyl)-
- IUPAC
- 1-(4-hydroxycyclohexyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1-(4-hydroxycyclohexyl)barbituric acid
- Molecular formula
- C13H18N2O4
- Molecular weight
- 266.29
Names & synonyms
4256-27-3BARBITURIC ACID, 5-ALLYL-1-(4-HYDROXYCYCLOHEXYL)-RefChem:10776045-Allyl-1-(4-hydroxycyclohexyl)barbituric acidBRN 0758624DTXSID609625596-Hydroxy-3-(4-hydroxycyclohexyl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(4-hydroxycyclohexyl)-5-(2-propen-1-yl)-
Database identifiers
- CAS
4256-27-3- PubChem CID
- 20256
- DTXSID
DTXSID60962559- Nikkaji
- J62.420I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 5.18 · 5.18±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…