Chemsketch

ChemSketch is a chemical structure drawing program developed by ACD/Labs. Among other features, ChemSketch has the ability to:

• Draw and view structures in 2D, or render in 3D to view from any angle
• Draw reactions and reaction schemes, and calculate reactant quantities
• Generate structures from InChI and SMILES strings
• Generate IUPAC systematic names for molecules of up to 50 atoms and 3 ring structures
• Predict logP for individual structures
• Search for structures in the built-in dictionary of over 165,000 systematic, trivial, and trade names

ChemSketch uses many standard file formats for the import and export of drawings. The full list of available file formats can be found here, under the link "standard file formats." The program allows the user to draw chemical structures including organics, organometallics, polymers, and Markush structures.

  Introduction to ChemSketch

       

          ChemSketch is a free download for educational use. It can be used to produce structures of organic molecules, names of organic molecules as well as Lewis structures, 3D structures, space filling models or ball and stick models, among other things.

To get started go to

http://www.acdlabs.com/download/chemsketch/download.html

Select ACD ChemSketch Freeware and follow the instructions (an email address is required). This is the latest version. (Periodicallythis is updated.) You do not have to work on–line to use the program

 Using the buttons available. Note that a pdf document is part of the download.

When you load the program this is what you will see.

With structure highlighted, and C highlighted, you can draw a chain of carbon atoms

Select the whole structure by a lasso or clicking near the structure and select ‘All’ to show all carbon atoms, then ‘Apply’. (Set default if you want to.)

To have structure as CH3 – rather than H3C – , change position by clicking onto the ‘change position’ button, select the C atom that you want to change and click until you have the desired position.

Using the properties box you can change font size, etc. ‘Lasso’ what you want to change first using OR click next to the structure to select it.

To add, eg –OH groups click the atom (O if you want an -OH group) from the left hand side’ select the

carbon where you want this and drag out.

To make a double bond (or triple bond) select the bond to the OH group.

Using Tools options

o   Use ‘3D Structure Optimization’ if you want to create a 3D molecule

o   Use ‘Generate’ to name the structure

Use the templates available

For example, if you select amino acids you will get

Select an amino acid by clicking on it then clicking on to the ‘working screen’.

eg selecting alanine

Using 3D models of molecules

Draw, or get structure of molecule eg using alanine

When changing to 3D mode there are two possible ways to do this:

(i) when you only have one molecule shown

(ii) when you have more than one molecule in your chemsketch document.

(iii) when you only have one molecule shown

Select the molecule by clicking near it. Click the 3D viewer button (right hand side of buttons).

In 3D mode you can select framework, ball and stick, space-filling, etc.

These are only some of the features that you will find useful from Chemsketch.

Example :

v  You can select different arrows, including arrows suitable for equilibrium systems.

v  You can write reagents or conditions above the reaction arrow.

v  You can change an acid to the anion of the acid showing a negative charge.

Everything you do in Chemsketch can be copied into a word document.

Example			Diagram
Energy of reaction diagram			1
Orbitals			2
Vacuum Distillation			3
DNA Strand			4
Lipids			5

Once you get started you will find many other ways to use this programme so have fun!