Home SDF/Mol File (S)-1-Dodecene-3-ol

SDF/Mol File of (S)-1-Dodecene-3-ol (C12H24O)

Identification of (S)-1-Dodecene-3-ol Chemical Compound

2D chemical structure image of (S)-1-Dodecene-3-ol
Chemical Formula C12H24O
Molecular Weight 184.31836 g/mol
IUPAC Name (3S)-dodec-1-en-3-ol
SMILES String CCCCCCCCCC(O)C=C
InChI InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4,12-13H,2-3,5-11H2,1H3/t12-/m1/s1
InChIKey NJRDPOCRDOOHLF-GFCCVEGCSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (S)-1-Dodecene-3-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 (S)-1-Dodecene-3-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.

3D chemical structure image of (S)-1-Dodecene-3-ol
Ball-and-stick model of (S)-1-Dodecene-3-ol




More Properties of (S)-1-Dodecene-3-ol

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying (S)-1-Dodecene-3-ol Molecule

  • Chemical structure of (S)-1-Dodecene-3-ol

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (S)-1-Dodecene-3-ol is available in chemical structure page of (S)-1-Dodecene-3-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 (S)-1-Dodecene-3-ol

    The molecular weight of (S)-1-Dodecene-3-ol is available in molecular weight page of (S)-1-Dodecene-3-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 (S)-1-Dodecene-3-ol

    The chemical formula of (S)-1-Dodecene-3-ol is given in chemical formula page of (S)-1-Dodecene-3-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 (S)-1-Dodecene-3-ol

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (S)-1-Dodecene-3-ol is:

    InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4,12-13H,2-3,5-11H2,1H3/t12-/m1/s1

    It can provide a standard way to encode the molecular information of (S)-1-Dodecene-3-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 (S)-1-Dodecene-3-ol is:

    InChIKey=NJRDPOCRDOOHLF-GFCCVEGCSA-N

    The InChIKey may allow easier web searches for (S)-1-Dodecene-3-ol, but it needs to be linked to the full InChI to get back to the original structure of the (S)-1-Dodecene-3-ol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (S)-1-Dodecene-3-ol

    The (S)-1-Dodecene-3-ol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (S)-1-Dodecene-3-ol including the registry numbers are listed below, if available:

    • (S)-1-Dodecene-3-ol

Additional Outstanding Products

(S)-1-Dodecene-3-ol Identification Summary Frequently Asked Questions (FAQs)

What’s the (S)-1-Dodecene-3-ol formula?
C12H24O
How many atoms and what elements are included in the (S)-1-Dodecene-3-ol molecule?
37 atom(s) - 24 Hydrogen atom(s), 12 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (S)-1-Dodecene-3-ol structure?
36 bond(s) - 12 non-H bond(s), 1 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), 1 hydroxyl group(s) and 1 secondary alcohol(s)
What’s the (S)-1-Dodecene-3-ol’s molar mass?
184.31836 g/mol
What’s the SMILES structure of (S)-1-Dodecene-3-ol?
CCCCCCCCCC(O)C=C
What’s the InChI code of (S)-1-Dodecene-3-ol?
InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4,12-13H,2-3,5-11H2,1H3/t12-/m1/s1
What’s the InChIKey format of (S)-1-Dodecene-3-ol?
NJRDPOCRDOOHLF-GFCCVEGCSA-N

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