Use this authentic chemical name calculator for naming chemicals, this is a specialized tool designed to assist chemists, students, and researchers in generating and interpreting chemical names.
Chemical nomenclature can be complex and challenging, especially for large or intricate molecules. The International Union of Pure and Applied Chemistry (IUPAC) has established a set of rules for naming chemical compounds.
Chemical Name Calculator
| Input | Calculation Type | Output | Notes |
|---|---|---|---|
| CH3CH2CH2CH3 | Structure to Name | Butane | Simple alkane naming |
| 2-methylpropane | Name to Structure |  -CH3) | Branched alkane structure |
| C6H6 | Formula to Name | Benzene | Recognizing common molecular formulas |
| Ethanol | Name to Formula | C2H5OH | Alcohol formula generation |
| Structure to Name | Propanone (Acetone) | Ketone naming |
| 3-ethylpenta-1,4-diene | Name to Properties | Molecular Weight: 96.17 g/mol Empirical Formula: C7H12 | Property calculation |
| Acetic acid | Name to IUPAC Name | Ethanoic acid | Conversion of common name to systematic name |
| CH3COOH | Formula to Structure | | Generating structure from molecular formula |
| 2,4,6-trinitrotoluene | Name to Abbreviation | TNT | Recognizing common abbreviations |
| C6H12O6 | Formula to Possible Names | Glucose, Fructose, Galactose | Identifying isomers |
More : – pKa to pH Calculator – Effective Nuclear Charge Calculator – pKa to KA Calculator
Chemical Name Calculation Formula
- Identify the Parent Chain:
- Locate the longest continuous carbon chain in the molecule.
- If there are multiple chains of equal length, choose the one with the most substituents.
- Number the Parent Chain:
- Start numbering from the end closest to the first substituent or functional group.
- In case of a tie, prioritize the substituent that appears first alphabetically.
- Identify and Name Substituents:
- List all branches and functional groups attached to the parent chain.
- Use prefixes (di-, tri-, tetra-, etc.) for multiple occurrences of the same substituent.
- Order Substituents:
- Arrange substituents in alphabetical order, ignoring any prefixes.
- If there are multiple substituents at the same position, list them in alphabetical order.
- Name Functional Groups:
- Identify the highest priority functional group, which will determine the suffix of the name.
- Other functional groups are named as prefixes.
- Construct the Name:
- Combine all elements in the following order: a) Substituent prefixes (in alphabetical order) b) Parent chain name c) Suffix for the highest priority functional group
- Apply IUPAC Prefix Rules:
- Use “cyclo-” for ring structures.
- Add appropriate prefixes for unsaturated compounds (e.g., “-ene” for double bonds, “-yne” for triple bonds).
- Handle Special Cases:
- Apply specific rules for aromatic compounds, heterocycles, and complex biomolecules.
For example, the formula for naming a simple alkane would be:
[prefix][root]+ane
Where:
- [prefix] indicates the number of carbon atoms (e.g., meth-, eth-, prop-, but-)
- [root] is the stem of the prefix (e.g., -an- for single bonds)
- ane is the suffix for saturated hydrocarbons
More complex molecules require additional considerations, such as the position and type of functional groups, which modify this basic formula significantly.
