Basic information
- CAS
66940-75-8- Standard SMILES
C=CCC1(CC=C)C(=O)NC(=O)N(CCCCCCC)C1=O- InChIKey
WOEQIPNOTVJVHA-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diallyl-1-heptyl-
- IUPAC
- 1-heptyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diallyl-1-heptyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
5,5-Diallyl-1-heptylbarbituric acidBARBITURIC ACID, 5,5-DIALLYL-1-HEPTYL-66940-75-8DTXSID80217093RefChem:320639DTXCID801395841-Heptyl-5,5-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5,5-Diallyl-1-heptyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-heptyl-5,5-di-2-propen-1-yl-
Database identifiers
- CAS
66940-75-8- PubChem CID
- 48423
- DTXSID
DTXSID80217093- Nikkaji
- J105.445G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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