You are looking to 2,3-Butanedione
General Information
Pubchem ID: 650
IUPAC Name: butane-2,3-dione
Synonym/s: diacetyl, biacetyl
Molecular Formula: C4H6O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 86.0900
Number of Atoms: 12
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 21.540
Physico-chemical Properties
Volume (cm³ • mol-1 ): 394.52
Solvent Accessible Surface Area (Ų): 275.89
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: None
AlogP: -0.50
Polar Surface Area (Å): 56.87
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s