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Double bond equivalent calculator

Enter atom counts to find the degree of unsaturation for an ordinary closed-shell, neutral organic molecule.

Calculator

Double bond equivalents
4
Saturated hydrogen-equivalent limit
14

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How this calculator works

A saturated acyclic hydrocarbon has two more hydrogens than twice its carbon count. Each ring or double bond removes one hydrogen pair; a triple bond removes two. Ordinary trivalent nitrogen adds one to the hydrogen limit, each monovalent halogen counts like hydrogen and divalent oxygen leaves the count unchanged. A negative or half-integer answer is rejected for this closed-shell model. A whole result does not prove that a stable structure exists, and ions, radicals and unusual valences require a different analysis.

Formula

DBE = (2C + 2 + N - H - X)/2. Each ring or double bond contributes 1; each triple bond contributes 2. Oxygen contributes 0.

Worked example

Benzene, C6H6, gives (12 + 2 - 6)/2 = 4: one ring plus three double bonds. C4H6Br2 gives (8 + 2 - 6 - 2)/2 = 1.

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Frequently asked questions

Does DBE locate the bonds?

No. It constrains the total number of rings and pi-bond equivalents, leaving many possible structures.

Why enter oxygen if it cancels?

It documents the complete supported formula and verifies that its atom count is a whole non-negative number.

Can I use this for a charged formula?

This equation assumes a neutral molecule with ordinary valences. Use a charge-aware structural analysis for ions or radicals.

Sources

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