You are looking to 2-Octanone
General Information
Pubchem ID: 8093
IUPAC Name: Octan-2-one
Synonym/s: Hexyl methyl ketone, ---
Molecular Formula: C8H16O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 128.2100
Number of Atoms: 25
Rotatable Bonds: 5
Molecular Refractivity (m³ • mol-1 ): 39.220
Physico-chemical Properties
Volume (cm³ • mol-1 ): 621.93
Solvent Accessible Surface Area (Ų): 398.21
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: None
AlogP: 2.24
Polar Surface Area (Å): 29.04
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ketone