You are looking to Acetoin
General Information
Pubchem ID: 179
IUPAC Name: 3-hydroxybutan-2-one
Synonym/s: Acetyl methyl carbinol, 3-hydroxy-2-butanone
Molecular Formula: C4H8O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 88.1100
Number of Atoms: 14
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 22.390
Physico-chemical Properties
Volume (cm³ • mol-1 ): 403.18
Solvent Accessible Surface Area (Ų): 279.45
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: -0.44
AlogP: 50.05
Polar Surface Area (Å): 88.10
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ketone
Alkanol