Degree of Unsaturation Calculator

IHD, DBE & Structure Analysis

Enter the number of C, H, N, X, O atoms or a molecular formula. Instantly get the degree of unsaturation (IHD/DBE), structure hints, and explanations.

Degree of Unsaturation Examples

Try these real-world molecular formulas

Benzene (Aromatic Ring)

Unsaturation

C6H6: Classic aromatic ring, high unsaturation.

Formula: C6H6

C: 6 atoms

H: 6 atoms

N: 0 atoms

Halogen: 0 atoms

O: 0 atoms

Cyclohexane (Ring, Saturated)

Unsaturation

C6H12: Saturated ring, no double bonds.

Formula: C6H12

C: 6 atoms

H: 12 atoms

N: 0 atoms

Halogen: 0 atoms

O: 0 atoms

1,3-Butadiene (Two Double Bonds)

Unsaturation

C4H6: Diene, two double bonds.

Formula: C4H6

C: 4 atoms

H: 6 atoms

N: 0 atoms

Halogen: 0 atoms

O: 0 atoms

Chloroform (Halogenated, No Unsaturation)

Unsaturation

CHCl3: No double bonds or rings.

Formula: CHCl3

C: 1 atoms

H: 1 atoms

N: 0 atoms

Halogen: 3 atoms

O: 0 atoms

Other Titles
Understanding Degree of Unsaturation Calculator: A Comprehensive Guide
Mastering IHD, DBE, and Structure Analysis

What is Degree of Unsaturation?

  • Definition and Formula
  • Why It Matters in Chemistry
  • Relation to Structure
Degree of unsaturation (IHD/DBE) indicates the number of rings and multiple bonds in a molecule. It is calculated from the molecular formula and helps deduce possible structures.
Unsaturation in Organic Molecules

Common Examples

  • C6H6 (benzene) has 4 degrees of unsaturation.
  • C6H12 (cyclohexane) has 1 degree of unsaturation.

Step-by-Step Guide to Using the Calculator

  • Entering Atom Counts
  • Using the Formula Field
  • Interpreting Results
Enter the number of C, H, N, X, O atoms or a molecular formula. The calculator will auto-fill fields and compute the degree of unsaturation, with explanations and structure hints.
User-Friendly Interface

Calculator Usage Examples

  • Input: C4H6 → Output: 2 (diene)
  • Input: CHCl3 → Output: 0 (no unsaturation)

Real-World Applications

  • NMR and IR Spectroscopy
  • Structure Elucidation
  • Organic Synthesis
Degree of unsaturation is crucial for interpreting NMR/IR spectra, deducing molecular structures, and planning organic syntheses.
Practical Importance

Real-World Scenarios

  • Determining if a molecule is aromatic or contains rings.
  • Predicting possible isomers.

Common Misconceptions and Correct Methods

  • Halogen and Nitrogen Handling
  • Oxygen's Role
  • Negative or Non-Integer Results
Halogens are counted like hydrogens, nitrogen adds one, and oxygen does not affect the calculation. Negative or non-integer results indicate an error in the formula or atom counts.
Avoiding Calculation Errors

Misconceptions vs. Correct Methods

  • C4H8Cl2: Halogens included, result is 1.
  • C3H7N: Nitrogen included, result is 0.

Mathematical Derivation and Examples

  • The IHD/DBE Formula
  • Worked Examples
  • Special Cases
The formula is: IHD = (2C + 2 + N - H - X)/2. Examples: C6H6 → (26+2-6)/2 = 4. C4H6 → (24+2-6)/2 = 2.
Sample Calculations

Mathematical Examples

  • C6H6: (2*6+2-6)/2 = 4
  • C4H6: (2*4+2-6)/2 = 2