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You are looking to Isoamyl Benzoate



General Information

Pubchem ID: 7193

IUPAC Name: 3-methylbutyl benzoate

Synonym/s: Isopentyl Benzoate, ---

Molecular Formula: C12H16O2

SMILES:


Known Interaction/s




Structural Values

Molecular Weight (Da): 192.2500

Number of Atoms: 14

Rotatable Bonds: 5

Molecular Refractivity (m³ • mol-1 ): None



Physico-chemical Properties

Volume (cm³ • mol-1 ): 195.23

Solvent Accessible Surface Area (Ų): 0.00

Hydrogen Bond Donor: 0

Hydrogen Bond Acceptor: 2

Total Charge: 0

pKa: None

AlogP: 4.15

Polar Surface Area (Å): 26.30



Pharmacological Analysis

Rule of Five or Lipinsky Rule: Satisfied

Rule of Three: Unsatisfied

Ghose Filter: Unsatisfied



Functional Group/s