Basic information
- CAS
66968-48-7- Standard SMILES
CCC1(COCC(C)C)C(=O)NC(=O)NC1=O- InChIKey
GVUBXECJBNHTMF-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.12665706
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(isobutoxymethyl)-
- IUPAC
- 5-ethyl-5-(2-methylpropoxymethyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(isobutoxymethyl)barbituric acid
- Molecular formula
- C11H18N2O4
- Molecular weight
- 242.27
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(ISOBUTOXYMETHYL)-66968-48-7BRN 02400505-Ethyl-5-(isobutoxymethyl)barbituric acidDTXSID002171765-ethyl-5-[(2-methylpropoxy)methyl]-1,3-diazinane-2,4,6-trione5-Ethyl-5-(isobutoxymethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[(2-methylpropoxy)methyl]-
Database identifiers
- CAS
66968-48-7- PubChem CID
- 48753
- DTXSID
DTXSID00217176- Nikkaji
- J105.546A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…