Degree of unsaturation

The double bond equivalent ( DBAE ) is an aid to structure elucidation of an organic molecule, if its composition is known. A double bond equivalent is equivalent to a double bond or a ring in the molecule.

Calculation

For the calculation of the double bond equivalent of the sum of the formula using the following formula, wherein X stands for halogens:

It should be noted that the number of oxygens in the formula is not present.

The formula can be extended with sensitivity to sulfur - or phosphorus - containing compounds, in which the number of these atoms to the number of oxygens or nitrogens - ie atoms of the same rank - is added.

General formula

In the above formula, a system with respect to the valence reveals:

Or more generally:

Examples

• Analytical Chemistry