This calculator works out the degree of unsaturation, also called the index of hydrogen deficiency, for any organic molecule from its molecular formula alone. It is a quick first step in organic chemistry for working out how many rings and pi bonds (double or triple bonds) a structure must contain before you look at any spectroscopy. Enter a molecular formula such as C6H12O6 directly, or fill in the carbon, hydrogen, nitrogen and halogen atom counts yourself; oxygen and sulfur are left out because they do not affect the count. The calculator updates as you type, showing the degree of unsaturation, the carbon count, the combined hydrogen and halogen count, and the nitrogen count, along with full step by step working through the formula C minus (H plus X) divided by 2, plus N divided by 2, plus 1. A results panel explains what each value means, from 0 (fully saturated, no rings) through to 4 or more (often a sign of a benzene ring), and a verdict box flags anything unusual, such as a negative or non-whole number result, which usually points to a formula that is not balanced correctly. Use the result alongside other evidence, such as infrared or NMR spectroscopy, to confirm the actual arrangement of rings and bonds, since the degree of unsaturation tells you the total count but not where they sit in the structure.
Type a standard molecular formula using element symbols and numbers (C, H, N, O, F, Cl, Br, I). Leave a number off an element to mean one atom (for example "Cl" means one chlorine). The count updates automatically as you type.
Oxygen and sulfur atoms do not affect the result, so they are not needed here. These fields update automatically whenever you change the formula above.
The degree of unsaturation (DoU), also known as the index of hydrogen deficiency (IHD) or degree of unsaturation index, tells you the total number of rings and pi bonds (double and triple bonds) in a molecule based only on its molecular formula. It is one of the first things chemists calculate when working out a structure from a formula, since it immediately narrows down the possibilities before any spectroscopy is considered.
For a molecule with the general formula CcHhNnOoXx (where X represents any halogen: F, Cl, Br or I), the degree of unsaturation is:
DoU = C - (H + X)/2 + N/2 + 1
Oxygen and sulfur are left out of the formula entirely. This is because they are divalent (they form two bonds) and inserting one into a carbon chain does not change the number of hydrogens required for the chain to be fully saturated. Halogens are treated the same as hydrogen because they are monovalent and each one replaces exactly one hydrogen atom. Nitrogen is trivalent, so each nitrogen atom allows one extra hydrogen atom compared to carbon, which is why it is added rather than subtracted.
Take glucose, C6H12O6. There are 6 carbon atoms, 12 hydrogen atoms, no nitrogen and no halogens. Oxygen is ignored.
DoU = 6 - (12 + 0)/2 + 0/2 + 1 = 6 - 6 + 0 + 1 = 1
A degree of unsaturation of 1 tells you that glucose has exactly one ring or one double bond in its structure. This matches the cyclic (ring) form of glucose that predominates in solution, or the single carbonyl (C=O) double bond in its open chain form.
Sources: Standard IUPAC organic chemistry nomenclature and the degree of unsaturation (index of hydrogen deficiency) formula as taught in university-level organic chemistry courses.
This calculator provides the standard degree of unsaturation from a molecular formula. It tells you the total number of rings and pi bonds but not their exact arrangement. Use spectroscopic evidence (IR, NMR, mass spectrometry) alongside this result to confirm the actual structure.
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