DegreesOfUnsaturation Calculate
Calculate degrees of unsaturation (DoU, also called index of hydrogen deficiency or degree of unsaturation) from a molecular formula. Uses the formula DoU = (2C + 2 + N - H - X) / 2 where X = total halogens (F, Cl, Br, I). Oxygen and sulfur do not affect DoU. Accepts either a formula string (e.g., 'C6H6') or explicit atom counts. Returns DoU value with structural interpretation: 0 = saturated, 1 = one ring or double bond, 4 = benzene ring, etc. Half-integer DoU indicates a formula error for neu…
Overview
Calculate degrees of unsaturation (DoU, also called index of hydrogen deficiency or degree of unsaturation) from a molecular formula. Uses the formula DoU = (2C + 2 + N - H - X) / 2 where X = total halogens (F, Cl, Br, I). Oxygen and sulfur do not affect DoU. Accepts either a formula string (e.g., 'C6H6') or explicit atom counts. Returns DoU value with structural interpretation: 0 = saturated, 1 = one ring or double bond, 4 = benzene ring, etc. Half-integer DoU indicates a formula error for neutral molecules.
Schema
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Examples (1)
Default DegreesOfUnsaturation Calculate call
Public-safe example · rate-limited
Identifiers
- Catalog ID
- tu_DegreesOfUnsaturation_calculate
- Tool name
- DegreesOfUnsaturation_calculate
- Added
- 2026-05-01 00:58Z
- Tags
- tooluniverse