Does Incorporation of Silicon Increases #Lipophilicity? A Theoretical Perspective by Ankur K Guha in BJSTR

Abstract

#Quantumchemicalcalculations have been carried out using MP2/6-311++G** level of theory to calculate #lipophilicity, i.e., octanol-water #partitioncoefficient (LogP) of some #alcohols and their #siliconderivatives. Very good correlation has been obtained between the experimental LogP values against our calculated one. Moreover, incorporation of Si atom into the C atom attached to the -OH group dramatically increases the lipophilicity of the compounds. This finding may have wide implications towards designing new Si #incorporateddrugs.

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Does Incorporation of Silicon Increases #Lipophilicity? A Theoretical Perspective by Ankur K Guha in BJSTR