Home Chemical Formula 1-ethyl-4-propylbenzene

Chemical Formula of 1-ethyl-4-propylbenzene (C11H16)

Identification of 1-ethyl-4-propylbenzene Chemical Compound

2D chemical structure image of 1-ethyl-4-propylbenzene
Chemical Formula C11H16
Molecular Weight 148.24474 g/mol
IUPAC Name 1-ethyl-4-propylbenzene
SMILES String CCCc1ccc(CC)cc1
InChI InChI=1S/C11H16/c1-3-5-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3
InChIKey ADQDTIAWIXUACV-UHFFFAOYSA-N

Chemical Formula Description

The 1-ethyl-4-propylbenzene molecule contains a total of 27 atom(s). There are 16 Hydrogen atom(s) and 11 Carbon atom(s). A chemical formula of 1-ethyl-4-propylbenzene can therefore be written as:

C11H16

The chemical formula of 1-ethyl-4-propylbenzene 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 1-ethyl-4-propylbenzene
Ball-and-stick model of 1-ethyl-4-propylbenzene

Additional Information for Identifying 1-ethyl-4-propylbenzene Molecule

  • Structure Data File (SDF) of 1-ethyl-4-propylbenzene

    The structure data file (SDF) of 1-ethyl-4-propylbenzene is available for download in the SDF page of 1-ethyl-4-propylbenzene providing the information about the atoms, bonds, connectivity and coordinates of 1-ethyl-4-propylbenzene, which is not completely available in the chemical formula representation. The 1-ethyl-4-propylbenzene structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of 1-ethyl-4-propylbenzene

    The chemical structure image of 1-ethyl-4-propylbenzene is available in chemical structure page of 1-ethyl-4-propylbenzene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 1-ethyl-4-propylbenzene and the chemical bonds that hold the atoms together.

  • Molecular weight of 1-ethyl-4-propylbenzene

    The molecular weight of 1-ethyl-4-propylbenzene is available in molecular weight page of 1-ethyl-4-propylbenzene, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 1-ethyl-4-propylbenzene.

  • InChI (IUPAC International Chemical Identifier) information of 1-ethyl-4-propylbenzene

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 1-ethyl-4-propylbenzene is:

    InChI=1S/C11H16/c1-3-5-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3

    It can provide a standard way to encode the molecular information of 1-ethyl-4-propylbenzene 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 1-ethyl-4-propylbenzene is:

    InChIKey=ADQDTIAWIXUACV-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 1-ethyl-4-propylbenzene, but it needs to be linked to the full InChI to get back to the original structure of the 1-ethyl-4-propylbenzene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1-ethyl-4-propylbenzene

    The 1-ethyl-4-propylbenzene compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 1-ethyl-4-propylbenzene including the registry numbers is given below, if available:

    • Benzene, 1-ethyl-4-propyl-
    • 1-ethyl-4-propylbenzene
    • 20024-90-2
    • 1-Ethyl,4-n-Propylbenzene
    • Benzene, ethylpropyl-
    • p-(n-propyl)ethylbenzene
    • 1-ethyl-4-propyl-benzene

1-ethyl-4-propylbenzene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 1-ethyl-4-propylbenzene?

    C11H16
  • How many atoms and what are they in the 1-ethyl-4-propylbenzene structure?

    27 atom(s) – 16 Hydrogen atom(s) and 11 Carbon atom(s)
  • How many chemical bonds and what are they in the 1-ethyl-4-propylbenzene structure?

    27 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)
  • What’s the molecular weight of 1-ethyl-4-propylbenzene?

    148.24474 g/mol
  • What’s the SMILES string of 1-ethyl-4-propylbenzene?

    CCCc1ccc(CC)cc1
  • What’s the InChI of 1-ethyl-4-propylbenzene?

    InChI=1S/C11H16/c1-3-5-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3
  • What’s the InChIKey of 1-ethyl-4-propylbenzene?

    ADQDTIAWIXUACV-UHFFFAOYSA-N

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