Basic information
- CAS
15517-31-4- Standard SMILES
CCCCCN1C(=O)NC(=O)C(CC)(CC)C1=O- InChIKey
ZFAYOFSMNONQIN-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diethyl-1-pentyl-
- IUPAC
- 5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-pentylbarbituric acid
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
BARBITURIC ACID, 5,5-DIETHYL-1-PENTYL-5,5-diethyl-1-pentyl-1,3-diazinane-2,4,6-trione15517-31-45,5-Diethyl-1-pentylbarbituric acidBRN 0234373DTXSID801658432,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-pentyl-
Database identifiers
- CAS
15517-31-4- PubChem CID
- 27360
- DTXSID
DTXSID80165843- Nikkaji
- J54.570H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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