CH2CHOCOCH3

CH2CHOCOCH3 is a SMILES notation for a small organic molecule. It encodes a four-carbon framework with an ether linkage and an acetyl (ethanoyl) group, corresponding to a molecular formula of C4H6O2. In structural terms, the description can be viewed as an acetyl ester of a short alkyl fragment connected through an ether to a methyl carbonyl unit.

The compound is primarily of interest as a compact example of SMILES syntax and as a potential synthetic intermediate in organic chemistry. Because SMILES strings do not convey stereochemistry or three-dimensional arrangement on their own, this notation does not specify isomeric detail—actual structure may require additional descriptors to define unambiguously.

Reactivity would be typical of small esters containing an ether linkage: the acetyl ester can be hydrolyzed under acidic or basic conditions to yield corresponding alcohol and acetic acid derivatives, and the ether can be cleaved under strong acid or by oxidative ether cleavage under appropriate conditions. The practical use of this specific molecule in industrial or pharmaceutical contexts is not widely documented; it is more commonly encountered as a representative SMILES example or as a transient intermediate in synthetic routes.

For further information, researchers typically consult chemical databases by querying the SMILES string CH2CHOCOCH3, which may link to computed properties or related compounds. See also SMILES, IUPAC nomenclature, and organic ester/ether chemistry.