You are looking to Hydroxycitronellal
General Information
Pubchem ID: 7888
IUPAC Name: 7-hydroxy-3,7-dimethyloctanal
Synonym/s: Phixia, Cyclalia
Molecular Formula: C10H20O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 172.2600
Number of Atoms: 32
Rotatable Bonds: 6
Molecular Refractivity (m³ • mol-1 ): 50.280
Physico-chemical Properties
Volume (cm³ • mol-1 ): 741.48
Solvent Accessible Surface Area (Ų): 450.68
Hydrogen Bond Donor: 1
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: 15.72
AlogP: 1.91
Polar Surface Area (Å): 56.35
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Satisfied
Functional Group/s
Carbonyl
Alkanol
Aldehyde