You are looking to Octanal
General Information
Pubchem ID: 454
IUPAC Name: octanal
Synonym/s: Caprylaldehyde, Caprylic aldehyde
Molecular Formula: C8H16O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 128.2100
Number of Atoms: 25
Rotatable Bonds: 6
Molecular Refractivity (m³ • mol-1 ): 39.350
Physico-chemical Properties
Volume (cm³ • mol-1 ): 630.48
Solvent Accessible Surface Area (Ų): 404.63
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: 15.52
AlogP: 2.76
Polar Surface Area (Å): 38.21
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Aldehyde