Basic information
- CAS
80584-93-6- Standard SMILES
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O.C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O.[Ca+2]- InChIKey
FQKQHOLZWWACIV-UHFFFAOYSA-N- Molecular formula
- C24H36CaN4O6+2
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.2260757
Names & identifiers
- Preferred name
- Calcium bis(5-allyl-5-(sec-pentyl)barbiturate)
- IUPAC
- calcium bis(5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione)
Names & synonyms
EINECS 279-507-680584-93-6Calcium bis(5-allyl-5-(sec-pentyl)barbiturate)
Database identifiers
- CAS
80584-93-6- PubChem CID
- 129010967
- EC Number
- 279-507-6
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 2
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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