Home Download Structure Data File(SDF/Mol File) 2,4-dimethyl-1-(propan-2-yl)benzene

Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2,4-dimethyl-1-(propan-2-yl)benzene is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2,4-dimethyl-1-(propan-2-yl)benzene molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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

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

    By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

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

    The chemical formula of 2,4-dimethyl-1-(propan-2-yl)benzene is given in chemical formula page of 2,4-dimethyl-1-(propan-2-yl)benzene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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

    An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2,4-dimethyl-1-(propan-2-yl)benzene including the registry numbers are listed 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 2,4-dimethyl-1-(propan-2-yl)benzene formula?

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

    27 atom(s) – 16 Hydrogen atom(s) and 11 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are 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 2,4-dimethyl-1-(propan-2-yl)benzene’s molar mass?

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

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

    AADQFNAACHHRLT-UHFFFAOYSA-N

2 The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.