Diacetyl 3D structure

Diacetyl (also called 2,3-butanedione, biacetyl) has the formula C4H6O2 and a molar mass of 86.09 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C4H6O2
Molar mass
86.09 g/mol
PubChem CID
650
Heavy atoms
6
Category
Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC namebutane-2,3-dione
SMILESCC(=O)C(=O)C
PubChem CID650
Other names2,3-butanedione, biacetyl, Butane-2,3-dione, dimethylglyoxal, Butanedione

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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