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

InputCalculation TypeOutputNotes
CH3CH2CH2CH3Structure to NameButaneSimple alkane naming
2-methylpropaneName to Structure2-methylpropane-CH3)Branched alkane structure
C6H6Formula to NameBenzeneRecognizing common molecular formulas
EthanolName to FormulaC2H5OHAlcohol formula generation
AcetoneStructure to NamePropanone (Acetone)Ketone naming
3-ethylpenta-1,4-dieneName to PropertiesMolecular Weight: 96.17 g/mol
Empirical Formula: C7H12
Property calculation
Acetic acidName to IUPAC NameEthanoic acidConversion of common name to systematic name
CH3COOHFormula to StructureAcetic acidGenerating structure from molecular formula
2,4,6-trinitrotolueneName to AbbreviationTNTRecognizing common abbreviations
C6H12O6Formula to Possible NamesGlucose, Fructose, GalactoseIdentifying isomers

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Chemical Name Calculation Formula

  1. 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.
  2. 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.
  3. 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.
  4. Order Substituents:
    • Arrange substituents in alphabetical order, ignoring any prefixes.
    • If there are multiple substituents at the same position, list them in alphabetical order.
  5. Name Functional Groups:
    • Identify the highest priority functional group, which will determine the suffix of the name.
    • Other functional groups are named as prefixes.
  6. 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
  7. 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).
  8. 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.

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