You are looking to Ethyl Octanoate
General Information
Pubchem ID: 7799
IUPAC Name: ethyl octanoate
Synonym/s: Ethyl caprylate, ---
Molecular Formula: C10H20O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 172.2600
Number of Atoms: 32
Rotatable Bonds: 8
Molecular Refractivity (m³ • mol-1 ): 39.790
Physico-chemical Properties
Volume (cm³ • mol-1 ): 789.40
Solvent Accessible Surface Area (Ų): 496.71
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: None
AlogP: 3.31
Polar Surface Area (Å): 36.65
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Satisfied
Functional Group/s
Carbonyl
Ester