Download Structure Data File(SDF/Mol File) of 1,1-DIMETHYLTETRALIN (C12H16)

Identification of 1,1-DIMETHYLTETRALIN Chemical Compound

2D chemical structure image of 1,1-DIMETHYLTETRALIN
Chemical Formula C12H16
Molecular Weight 160.25544 g/mol
IUPAC Name 1,1-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILES String CC1(C)CCCc2ccccc12
InChI InChI=1S/C12H16/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,5,7,9H2,1-2H3
InChIKey ABIPNDAVRBMCHV-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1,1-DIMETHYLTETRALIN 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 1,1-DIMETHYLTETRALIN 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 1,1-DIMETHYLTETRALIN
Ball-and-stick model of 1,1-DIMETHYLTETRALIN

Additional Information for Identifying 1,1-DIMETHYLTETRALIN Molecule

  • Chemical structure of 1,1-DIMETHYLTETRALIN

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1,1-DIMETHYLTETRALIN is available in chemical structure page of 1,1-DIMETHYLTETRALIN, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 1,1-DIMETHYLTETRALIN

    The molecular weight of 1,1-DIMETHYLTETRALIN is available in molecular weight page of 1,1-DIMETHYLTETRALIN, 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 1,1-DIMETHYLTETRALIN

    The chemical formula of 1,1-DIMETHYLTETRALIN is given in chemical formula page of 1,1-DIMETHYLTETRALIN, 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 1,1-DIMETHYLTETRALIN

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1,1-DIMETHYLTETRALIN is:

    InChI=1S/C12H16/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,5,7,9H2,1-2H3

    It can provide a standard way to encode the molecular information of 1,1-DIMETHYLTETRALIN 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 1,1-DIMETHYLTETRALIN is:

    InChIKey=ABIPNDAVRBMCHV-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of 1,1-DIMETHYLTETRALIN

    The 1,1-DIMETHYLTETRALIN compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1,1-DIMETHYLTETRALIN including the registry numbers are listed below, if available:

    • 1,1-DIMETHYLTETRALIN
    • 1985-59-7
    • 1,1-Dimethyl(1,2,3,4-tetrahydronaphthalene)
    • Naphthalene, 1,2,3,4-tetrahydro-1,1-dimethyl-
    • 1,1-dimethyl-1,2,3,4-tetrahydronaphthalene
    • 4,4-dimethyl-2,3-dihydro-1H-naphthalene
    • 1,2,3,4-tetrahydro-1,1-dimethylnaphthalene
    • 1,2,3,4-tetrahydro-4,4-dimethylnaphthalene

1,1-DIMETHYLTETRALIN Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 1,1-DIMETHYLTETRALIN formula?

    C12H16
  • How many atoms and what elements are included in the 1,1-DIMETHYLTETRALIN molecule?

    28 atom(s) – 16 Hydrogen atom(s) and 12 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the 1,1-DIMETHYLTETRALIN structure?

    29 bond(s) – 13 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), 2 six-membered ring(s) and 1 ten-membered ring(s)
  • What’s the 1,1-DIMETHYLTETRALIN’s molar mass?

    160.25544 g/mol
  • What’s the SMILES structure of 1,1-DIMETHYLTETRALIN?

    CC1(C)CCCc2ccccc12
  • What’s the InChI code of 1,1-DIMETHYLTETRALIN?

    InChI=1S/C12H16/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,5,7,9H2,1-2H3
  • What’s the InChIKey format of 1,1-DIMETHYLTETRALIN?

    ABIPNDAVRBMCHV-UHFFFAOYSA-N

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