Home SDF/Mol File (2R)-decan-2-ol

SDF/Mol File of (2R)-decan-2-ol (C10H22O)

Identification of (2R)-decan-2-ol Chemical Compound

2D chemical structure image of (2R)-decan-2-ol
Chemical Formula C10H22O
Molecular Weight 158.28108 g/mol
IUPAC Name (2R)-decan-2-ol
SMILES String CCCCCCCCC(C)O
InChI InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m1/s1
InChIKey ACUZDYFTRHEKOS-SNVBAGLBSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2R)-decan-2-ol 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)-decan-2-ol 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)-decan-2-ol
Ball-and-stick model of (2R)-decan-2-ol

Additional Information for Identifying (2R)-decan-2-ol Molecule

  • Chemical structure of (2R)-decan-2-ol

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2R)-decan-2-ol is available in chemical structure page of (2R)-decan-2-ol, 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)-decan-2-ol

    The molecular weight of (2R)-decan-2-ol is available in molecular weight page of (2R)-decan-2-ol, 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)-decan-2-ol

    The chemical formula of (2R)-decan-2-ol is given in chemical formula page of (2R)-decan-2-ol, 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)-decan-2-ol

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2R)-decan-2-ol is:

    InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m1/s1

    It can provide a standard way to encode the molecular information of (2R)-decan-2-ol 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)-decan-2-ol is:

    InChIKey=ACUZDYFTRHEKOS-SNVBAGLBSA-N

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

  • Other names (synonyms) or registry numbers of (2R)-decan-2-ol

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

    • (2R)-decan-2-ol
    • (R)-(-)-2-Decanol
    • Decan-2R-ol
    • (r)-2-decanol
    • 33758-15-5
    • (2R)-2-decanol
    • (R)-decan-2-ol
    • 2-Decanol,(2R)-
    • 2-Decanol, (2R)-
    • LMFA05000509
    • A821934
    • J-019318
    • I14-45760
    • (R)-(-)-2-Decanol, 97%, optical purity97% (ee) (HPLC)

(2R)-decan-2-ol Identification Summary Frequently Asked Questions (FAQs)

What’s the (2R)-decan-2-ol formula?
C10H22O
How many atoms and what elements are included in the (2R)-decan-2-ol 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 (2R)-decan-2-ol structure?
32 bond(s) – 10 non-H bond(s), 7 rotatable bond(s), 1 hydroxyl group(s) and 1 secondary alcohol(s)
What’s the (2R)-decan-2-ol’s molar mass?
158.28108 g/mol
What’s the SMILES structure of (2R)-decan-2-ol?
CCCCCCCCC(C)O
What’s the InChI code of (2R)-decan-2-ol?
InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m1/s1
What’s the InChIKey format of (2R)-decan-2-ol?
ACUZDYFTRHEKOS-SNVBAGLBSA-N

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