Welcome to the CAChe Molecular Modeling Tutorials

Department of Chemistry

University of Pittsburgh at Johnstown

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Building an Organic Molecule

Task: Build Cyclohexane

Time: 4 minutes

In the first steps of building a molecule you use the Atom icon to build the atoms and bonds that constitute the molecule.

  1. Select the Atom icon . Your cursor turns into the atom tool .

  2. Select the arrow button in the element type box and select carbon.  Make sure the hybridization is sp3 .

  3. Click in the workspace to draw a carbon atom .

  4. Click on the existing carbon and drag.  When you release the mouse button you will see that another carbon atom is attached to the first one .

  5. Continue until you have drawn all six atoms in a ring shape.  Drag the pencil from the last atom to the first to complete the ring.

  6. Click on the select tool and click in the workspace (not on any atoms or bonds) to select the entire molecule.

  7. Now we want to add the hydrogen atoms.

    1. One approach would be to select the atom tool, select hydrogen from the element type box and draw two hydrogen atoms from each carbon atom

    2. .
    3. There is an easier way: Select Beautify|Comprehensive from the menu bar.  If the skeleton was drawn correctly, the correct number of hydrogen atoms will appear and the angles will be correct for sp3 hybridization.

  8. Last, but not least, save your molecule.  Select File|Save and save it as "cyclohexane" in the appropriate location.


bulletIn the next lesson you will modify the cyclohexane molecule to generate a molecule of cyclohexanone (C6H10O).