You are looking to 4-Methylvaleric Acid
General Information
Pubchem ID: 12587
IUPAC Name: 4-methylpentanoic acid
Synonym/s: Isohexanoic acid, Isobutylacetic acid
Molecular Formula: C6H12O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 116.1600
Number of Atoms: 20
Rotatable Bonds: 3
Molecular Refractivity (m³ • mol-1 ): 31.020
Physico-chemical Properties
Volume (cm³ • mol-1 ): 514.62
Solvent Accessible Surface Area (Ų): 337.17
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: 4.96
AlogP: 1.60
Polar Surface Area (Å): 51.46
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Carboxylic acid