Basic information
- CAS
66940-58-7- Standard SMILES
CC(C)=CCC1(C2CCCCC2)C(=O)NC(=O)NC1=O- InChIKey
BFOXJJKDMUPJLG-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5-cyclohexyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-cyclohexyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Cyclohexyl-5-(3-methyl-2-butenyl)barbituric acid
- Molecular formula
- C15H22N2O3
- Molecular weight
- 278.35
Names & synonyms
BRN 0270378BARBITURIC ACID, 5-CYCLOHEXYL-5-(3-METHYL-2-BUTENYL)-5-Cyclohexyl-5-(3-methyl-2-butenyl)barbituric acid66940-58-7DTXSID002170904-24-00-02061 (Beilstein Handbook Reference)RefChem:320799DTXCID001395815-cyclohexyl-5-(3-methylbut-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Cyclohexyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-cyclohexyl-5-(3-methyl-2-buten-1-yl)-
Database identifiers
- CAS
66940-58-7- PubChem CID
- 48405
- DTXSID
DTXSID00217090- Nikkaji
- J105.423F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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