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SDF/Mol File of 1,9-dimethoxynonane (C11H24O2)

Identification of 1,9-dimethoxynonane Chemical Compound

2D chemical structure image of 1,9-dimethoxynonane
Chemical Formula C11H24O2
Molecular Weight 188.30706 g/mol
IUPAC Name 1,9-dimethoxynonane
SMILES String COCCCCCCCCCOC
InChI InChI=1S/C11H24O2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-11H2,1-2H3
InChIKey GXGHXTUSAJHVBB-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1,9-dimethoxynonane 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 1,9-dimethoxynonane 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.

3D chemical structure image of 1,9-dimethoxynonane
Ball-and-stick model of 1,9-dimethoxynonane

chemical table area

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 1,9-dimethoxynonane Molecule

  • Chemical structure of 1,9-dimethoxynonane

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1,9-dimethoxynonane is available in chemical structure page of 1,9-dimethoxynonane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 1,9-dimethoxynonane

    The molecular weight of 1,9-dimethoxynonane is available in molecular weight page of 1,9-dimethoxynonane, 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 1,9-dimethoxynonane

    The chemical formula of 1,9-dimethoxynonane is given in chemical formula page of 1,9-dimethoxynonane, 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 1,9-dimethoxynonane

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1,9-dimethoxynonane is:

    InChI=1S/C11H24O2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-11H2,1-2H3

    It can provide a standard way to encode the molecular information of 1,9-dimethoxynonane 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 1,9-dimethoxynonane is:

    InChIKey=GXGHXTUSAJHVBB-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 1,9-dimethoxynonane, but it needs to be linked to the full InChI to get back to the original structure of the 1,9-dimethoxynonane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1,9-dimethoxynonane

    The 1,9-dimethoxynonane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1,9-dimethoxynonane including the registry numbers are listed below, if available:

    • 91337-21-2
    • Nonane, 1,9-dimethoxy-

1,9-dimethoxynonane Identification Summary Frequently Asked Questions (FAQs)

What’s the 1,9-dimethoxynonane formula?
C11H24O2
How many atoms and what elements are included in the 1,9-dimethoxynonane molecule?
37 atom(s) - 24 Hydrogen atom(s), 11 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 1,9-dimethoxynonane structure?
36 bond(s) - 12 non-H bond(s), 10 rotatable bond(s), and 2 ether(s) (aliphatic)
What’s the 1,9-dimethoxynonane’s molar mass?
188.30706 g/mol
What’s the SMILES structure of 1,9-dimethoxynonane?
COCCCCCCCCCOC
What’s the InChI code of 1,9-dimethoxynonane?
InChI=1S/C11H24O2/c1-12-10-8-6-4-3-5-7-9-11-13-2/h3-11H2,1-2H3
What’s the InChIKey format of 1,9-dimethoxynonane?
GXGHXTUSAJHVBB-UHFFFAOYSA-N

44 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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