Home Chemical Formula 2,4-dimethyl-1-(propan-2-yl)benzene

Chemical Formula of 2,4-dimethyl-1-(propan-2-yl)benzene (C11H16)

Identification of 2,4-dimethyl-1-(propan-2-yl)benzene Chemical Compound

2D chemical structure image of 2,4-dimethyl-1-(propan-2-yl)benzene
Chemical Formula C11H16
Molecular Weight 148.24474 g/mol
IUPAC Name 2,4-dimethyl-1-(propan-2-yl)benzene
SMILES String CC(C)c1ccc(C)cc1C
InChI InChI=1S/C11H16/c1-8(2)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
InChIKey AADQFNAACHHRLT-UHFFFAOYSA-N

Chemical Formula Description

The 2,4-dimethyl-1-(propan-2-yl)benzene molecule contains a total of 27 atom(s). There are 16 Hydrogen atom(s) and 11 Carbon atom(s). A chemical formula of 2,4-dimethyl-1-(propan-2-yl)benzene can therefore be written as:

C11H16

The chemical formula of 2,4-dimethyl-1-(propan-2-yl)benzene 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 2,4-dimethyl-1-(propan-2-yl)benzene
Ball-and-stick model of 2,4-dimethyl-1-(propan-2-yl)benzene

Additional Information for Identifying 2,4-dimethyl-1-(propan-2-yl)benzene Molecule

  • Structure Data File (SDF) of 2,4-dimethyl-1-(propan-2-yl)benzene

    The structure data file (SDF) of 2,4-dimethyl-1-(propan-2-yl)benzene is available for download in the SDF page of 2,4-dimethyl-1-(propan-2-yl)benzene providing the information about the atoms, bonds, connectivity and coordinates of 2,4-dimethyl-1-(propan-2-yl)benzene, which is not completely available in the chemical formula representation. The 2,4-dimethyl-1-(propan-2-yl)benzene structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of 2,4-dimethyl-1-(propan-2-yl)benzene

    The chemical structure image of 2,4-dimethyl-1-(propan-2-yl)benzene is available in chemical structure page of 2,4-dimethyl-1-(propan-2-yl)benzene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 2,4-dimethyl-1-(propan-2-yl)benzene and the chemical bonds that hold the atoms together.

  • Molecular weight of 2,4-dimethyl-1-(propan-2-yl)benzene

    The molecular weight of 2,4-dimethyl-1-(propan-2-yl)benzene is available in molecular weight page of 2,4-dimethyl-1-(propan-2-yl)benzene, 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 2,4-dimethyl-1-(propan-2-yl)benzene.

  • InChI (IUPAC International Chemical Identifier) information of 2,4-dimethyl-1-(propan-2-yl)benzene

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2,4-dimethyl-1-(propan-2-yl)benzene is:

    InChI=1S/C11H16/c1-8(2)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3

    It can provide a standard way to encode the molecular information of 2,4-dimethyl-1-(propan-2-yl)benzene 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 2,4-dimethyl-1-(propan-2-yl)benzene is:

    InChIKey=AADQFNAACHHRLT-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 2,4-dimethyl-1-(propan-2-yl)benzene, but it needs to be linked to the full InChI to get back to the original structure of the 2,4-dimethyl-1-(propan-2-yl)benzene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 2,4-dimethyl-1-(propan-2-yl)benzene

    The 2,4-dimethyl-1-(propan-2-yl)benzene compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2,4-dimethyl-1-(propan-2-yl)benzene including the registry numbers is given below, if available:

    • Benzene, 2,4-dimethyl-1-(1-methylethyl)-
    • Cumene, 2,4-dimethyl-
    • 4706-89-2
    • 1-Isopropyl-2,4-dimethylbenzene
    • 2,4-DIMETHYLISOPROPYLBENZENE
    • 4-Isopropyl-m-xylene
    • 1,3-Dimethyl-4-isopropylbenzene
    • 4-Isopropyl-1,3-dimethylbenzene
    • 2,4-dimethyl-1-propan-2-ylbenzene
    • 2,4-Dimethyl-1-(1-methylethyl)-benzene
    • Benzene, 1,3-dimethyl-4-(1-methylethyl)

2,4-dimethyl-1-(propan-2-yl)benzene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 2,4-dimethyl-1-(propan-2-yl)benzene?

    C11H16
  • How many atoms and what are they in the 2,4-dimethyl-1-(propan-2-yl)benzene structure?

    27 atom(s) – 16 Hydrogen atom(s) and 11 Carbon atom(s)
  • How many chemical bonds and what are they in the 2,4-dimethyl-1-(propan-2-yl)benzene structure?

    27 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)
  • What’s the molecular weight of 2,4-dimethyl-1-(propan-2-yl)benzene?

    148.24474 g/mol
  • What’s the SMILES string of 2,4-dimethyl-1-(propan-2-yl)benzene?

    CC(C)c1ccc(C)cc1C
  • What’s the InChI of 2,4-dimethyl-1-(propan-2-yl)benzene?

    InChI=1S/C11H16/c1-8(2)11-6-5-9(3)7-10(11)4/h5-8H,1-4H3
  • What’s the InChIKey of 2,4-dimethyl-1-(propan-2-yl)benzene?

    AADQFNAACHHRLT-UHFFFAOYSA-N

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