You are looking to 2-Butanone
General Information
Pubchem ID: 6569
IUPAC Name: Butan-2-one
Synonym/s: ethyl methyl ketone, ---
Molecular Formula: C4H8O
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 72.1100
Number of Atoms: 13
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 20.820
Physico-chemical Properties
Volume (cm³ • mol-1 ): 384.31
Solvent Accessible Surface Area (Ų): 270.52
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: None
AlogP: 0.42
Polar Surface Area (Å): 29.13
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ketone