Specifying Repeating Groups

A repeating group within a substructure query allows the atoms in the group to repeat a specified number of times. The repeating group can consist of atoms, shortcuts, or variables.  

 

  1. Click the Repeating Group    icon.

  2. Click to select an atom to be repeated, or click-and-drag to select a group of atoms and bonds to be repeated.

    

  1. The Information Bar changes to include From and To fields. Enter numeric values in these locations to specify the number of repetitions, and then click the Apply button.

 

  Notes:

  • The number of repetitions can be a single value or a range (0-20).

  • Any type of substitution placed on the atoms in the repeating group will also apply to each repeating unit retrieved.

  • There must be exactly two bonds to atoms outside the repeating group.

  • Repeating groups can be adjacent to each other when connected by a bond.

  • Stereo bonds cannot be included in a repeating group.

  • Bonds cannot join directly to Ak atoms.

  • The repeating group can be an atom or series of atoms in a ring or chain.

  • Molecular formula and weight do not display when the number of repetitions is stated as a range.

 

To Change the Number of Repetitions

  1. Click the Repeating Group     tool.

  2. Place your cursor on any portion of the repeating group structure, the bracket, or the repetition value. When the repeating group is highlighted, click to select it.

  3. Enter the new values in the From and To fields on the Information Bar.

  4. Click the Apply button.

To Remove a Repeating Group

  1. Click the Eraser    tool.

  2. Click a repeating group bracket or the repetition value.

Learn More

Drawing and Editing Structures

Substructure Queries

Reaction Queries