does not become the predominant product is also consistent with experiments. However, formation of two unexpected compounds, 3,3,6,6-tetramethyl-1,2,4,5-tetroxane, simply re-ferred to as tetroxane (Gibbs energy of -227 kJ•mol -1 , Figure ) and propenylperoxypropaneperoxol (-277 kJ•mol -1 , Figure ) vs. -218 kJ•mol -1 for the ozonide (Figure ) hint at limited extent of reaction progress or lacking depth of CRN-T exploration. We hypothesize that this outcome is also due to an artifact with regard to the role that water plays in the hydrolysis of the alkyliumperoxolate (i.e., the 2-peroxo propylate zwitterion in CRN-T) to hydrogen peroxide and acetone (3 in Figure ).