Download Structure Data File(SDF/Mol File) of 5-Methyl-5-nonanol (C10H22O)

Identification of 5-Methyl-5-nonanol Chemical Compound

2D chemical structure image of 5-Methyl-5-nonanol
Chemical Formula C10H22O
Molecular Weight 158.28108 g/mol
IUPAC Name 5-methylnonan-5-ol
SMILES String CCCCC(C)(O)CCCC
InChI InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3
InChIKey AGSIGVZAVLOKLP-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 5-Methyl-5-nonanol 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 5-Methyl-5-nonanol 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 5-Methyl-5-nonanol
Ball-and-stick model of 5-Methyl-5-nonanol

Additional Information for Identifying 5-Methyl-5-nonanol Molecule

  • Chemical structure of 5-Methyl-5-nonanol

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 5-Methyl-5-nonanol is available in chemical structure page of 5-Methyl-5-nonanol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 5-Methyl-5-nonanol

    The molecular weight of 5-Methyl-5-nonanol is available in molecular weight page of 5-Methyl-5-nonanol, 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 5-Methyl-5-nonanol

    The chemical formula of 5-Methyl-5-nonanol is given in chemical formula page of 5-Methyl-5-nonanol, 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 5-Methyl-5-nonanol

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 5-Methyl-5-nonanol is:

    InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3

    It can provide a standard way to encode the molecular information of 5-Methyl-5-nonanol 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 5-Methyl-5-nonanol is:

    InChIKey=AGSIGVZAVLOKLP-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 5-Methyl-5-nonanol, but it needs to be linked to the full InChI to get back to the original structure of the 5-Methyl-5-nonanol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 5-Methyl-5-nonanol

    The 5-Methyl-5-nonanol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 5-Methyl-5-nonanol including the registry numbers are listed below, if available:

    • 5-Methyl-5-nonanol
    • 33933-78-7
    • 5-methylnonan-5-ol
    • 5-Nonanol, 5-methyl-
    • 2-Butyl-2-hexanol
    • DI-n-BUTYL METHYL CARBINOL
    • MFCD00021844
    • A822005
    • C-03828
    • I14-101860

5-Methyl-5-nonanol Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 5-Methyl-5-nonanol formula?

    C10H22O
  • How many atoms and what elements are included in the 5-Methyl-5-nonanol molecule?

    33 atom(s) – 22 Hydrogen atom(s), 10 Carbon atom(s) and 1 Oxygen atom(s)
  • How many chemical bonds and what kind of bonds are in the 5-Methyl-5-nonanol structure?

    32 bond(s) – 10 non-H bond(s), 6 rotatable bond(s), 1 hydroxyl group(s) and 1 tertiary alcohol(s)
  • What’s the 5-Methyl-5-nonanol’s molar mass?

    158.28108 g/mol
  • What’s the SMILES structure of 5-Methyl-5-nonanol?

    CCCCC(C)(O)CCCC
  • What’s the InChI code of 5-Methyl-5-nonanol?

    InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3
  • What’s the InChIKey format of 5-Methyl-5-nonanol?

    AGSIGVZAVLOKLP-UHFFFAOYSA-N

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