Structure of Acetylacetone

Any compound that contains two carbonyl groups is a di-carbonyl compound. Depending on the relative position of the two carbonyl groups, one distinguishes 1,2-, 1,3-, 1,4-dicarbonyls and so on. The dicarbonyl shown is a 1,3-dicarbonyl. Acetylacetone is a very important reagent. The C-H bonds between the two carbonyls are particularly acidic.


Figure. The MP2(full)/6-31G* optimized structure of acetylacetone.