You are looking to Hexanal
General Information
Pubchem ID: 6184
IUPAC Name: hexanal
Synonym/s: Caproaldehyde, Hexaldehyde
Molecular Formula: C6H12O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 100.1600
Number of Atoms: 19
Rotatable Bonds: 4
Molecular Refractivity (m³ • mol-1 ): 30.140
Physico-chemical Properties
Volume (cm³ • mol-1 ): 509.28
Solvent Accessible Surface Area (Ų): 338.61
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: 15.50
AlogP: 1.85
Polar Surface Area (Å): 38.24
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Aldehyde