Home Download Structure Data File(SDF/Mol File) (2R)-2-methylpentane-1,5-diol

Download Structure Data File(SDF/Mol File) of (2R)-2-methylpentane-1,5-diol (C6H14O2)

Identification of (2R)-2-methylpentane-1,5-diol Chemical Compound

2D chemical structure image of (2R)-2-methylpentane-1,5-diol
Chemical Formula C6H14O2
Molecular Weight 118.17416 g/mol
IUPAC Name (2R)-2-methylpentane-1,5-diol
SMILES String CC(CO)CCCO
InChI InChI=1S/C6H14O2/c1-6(5-8)3-2-4-7/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKey AAAWJUMVTPNRDT-ZCFIWIBFSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2R)-2-methylpentane-1,5-diol 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 (2R)-2-methylpentane-1,5-diol 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 (2R)-2-methylpentane-1,5-diol
Ball-and-stick model of (2R)-2-methylpentane-1,5-diol

Additional Information for Identifying (2R)-2-methylpentane-1,5-diol Molecule

  • Chemical structure of (2R)-2-methylpentane-1,5-diol

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2R)-2-methylpentane-1,5-diol is available in chemical structure page of (2R)-2-methylpentane-1,5-diol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of (2R)-2-methylpentane-1,5-diol

    The molecular weight of (2R)-2-methylpentane-1,5-diol is available in molecular weight page of (2R)-2-methylpentane-1,5-diol, 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 (2R)-2-methylpentane-1,5-diol

    The chemical formula of (2R)-2-methylpentane-1,5-diol is given in chemical formula page of (2R)-2-methylpentane-1,5-diol, 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 (2R)-2-methylpentane-1,5-diol

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2R)-2-methylpentane-1,5-diol is:

    InChI=1S/C6H14O2/c1-6(5-8)3-2-4-7/h6-8H,2-5H2,1H3/t6-/m1/s1

    It can provide a standard way to encode the molecular information of (2R)-2-methylpentane-1,5-diol 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 (2R)-2-methylpentane-1,5-diol is:

    InChIKey=AAAWJUMVTPNRDT-ZCFIWIBFSA-N

    The InChIKey may allow easier web searches for (2R)-2-methylpentane-1,5-diol, but it needs to be linked to the full InChI to get back to the original structure of the (2R)-2-methylpentane-1,5-diol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (2R)-2-methylpentane-1,5-diol

    The (2R)-2-methylpentane-1,5-diol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2R)-2-methylpentane-1,5-diol including the registry numbers are listed below, if available:



    None available.


(2R)-2-methylpentane-1,5-diol Identification Summary Frequently Asked Questions (FAQs)

  • What’s the (2R)-2-methylpentane-1,5-diol formula?

    C6H14O2
  • How many atoms and what elements are included in the (2R)-2-methylpentane-1,5-diol molecule?

    22 atom(s) – 14 Hydrogen atom(s), 6 Carbon atom(s) and 2 Oxygen atom(s)
  • How many chemical bonds and what kind of bonds are in the (2R)-2-methylpentane-1,5-diol structure?

    21 bond(s) – 7 non-H bond(s), 4 rotatable bond(s), 2 hydroxyl group(s) and 2 primary alcohol(s)
  • What’s the (2R)-2-methylpentane-1,5-diol’s molar mass?

    118.17416 g/mol
  • What’s the SMILES structure of (2R)-2-methylpentane-1,5-diol?

    CC(CO)CCCO
  • What’s the InChI code of (2R)-2-methylpentane-1,5-diol?

    InChI=1S/C6H14O2/c1-6(5-8)3-2-4-7/h6-8H,2-5H2,1H3/t6-/m1/s1
  • What’s the InChIKey format of (2R)-2-methylpentane-1,5-diol?

    AAAWJUMVTPNRDT-ZCFIWIBFSA-N

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