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

Structure Data File (SDF/MOL File) Description

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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

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(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: 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).