Home Chemical Formula 4-Propylheptane

Chemical Formula of 4-Propylheptane (C10H22)

Identification of 4-Propylheptane Chemical Compound

2D chemical structure image of 4-Propylheptane
Chemical Formula C10H22
Molecular Weight 142.28168 g/mol
IUPAC Name 4-propylheptane
InChI InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3

Chemical Formula Description

The 4-Propylheptane molecule contains a total of 32 atom(s). There are 22 Hydrogen atom(s) and 10 Carbon atom(s). A chemical formula of 4-Propylheptane can therefore be written as:


The chemical formula of 4-Propylheptane shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of 4-Propylheptane
Ball-and-stick model of 4-Propylheptane

Additional Information for Identifying 4-Propylheptane Molecule

  • InChI (IUPAC International Chemical Identifier) information of 4-Propylheptane

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 4-Propylheptane is:


    It can provide a standard way to encode the molecular information of 4-Propylheptane to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 4-Propylheptane is:


    The InChIKey may allow easier web searches for 4-Propylheptane, but it needs to be linked to the full InChI to get back to the original structure of the 4-Propylheptane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 4-Propylheptane

    The 4-Propylheptane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 4-Propylheptane including the registry numbers is given below, if available:

    • 4-Propylheptane
    • Heptane, 4-propyl-
    • 3178-29-8
    • LMFA11000697
    • C-53638

4-Propylheptane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 4-Propylheptane?

  • How many atoms and what are they in the 4-Propylheptane structure?

    32 atom(s) – 22 Hydrogen atom(s) and 10 Carbon atom(s)
  • How many chemical bonds and what are they in the 4-Propylheptane structure?

    31 bond(s) – 9 non-H bond(s) and 6 rotatable bond(s)
  • What’s the molecular weight of 4-Propylheptane?

    142.28168 g/mol
  • What’s the SMILES string of 4-Propylheptane?

  • What’s the InChI of 4-Propylheptane?

  • What’s the InChIKey of 4-Propylheptane?


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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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