Public access ACE pages

ACE Mechanism calculator. Calculate the products of a mechanistic step involving one or more compounds and electron-flow arrows.

ACE Synthesis calculator 1. Calculate the products of a reaction, using one of ACE's predefined reactions.

ACE Synthesis calculator 2. Calculate the products of a reaction, using a reaction you define yourself.

ACE Functional-group finder. Find which functional groups a compound contains.

ACE Rotation about bonds. Designate a particular dihedral angle for a bond in a 3D structure.

ACE Chair flip. Flip to the other chair conformer of a substituted saturated six-membered ring.

ACE Chair or half-chair flip. Flip to the other chair or half-chair conformer of a substituted saturated or monounsaturated six-membered ring. (For saturated compounds, we recommend the ACE Chair flip page instead of this one.)

ACE Stereocenter configuration inversion. Invert the configurations of selected sp³ stereocenters in a 2D or 3D structure, or get the structure's mirror image.

ACE Stereoisomer generation. Convert a compound with unspecified configurations at its stereocenters into all stereoisomers.

ACE Pericyclic mechanism calculator. Determine whether any of the steps of a mechanism with electron-flow arrows are pericyclic.

ACE Hybridization calculator. Find the hybridization of each atom in a compound.

ACE Parity calculator. Find the parity of each atom in a compound.

ACE pK_a calculator. Find the pK_a of each atom in a compound.

ACE contiguous C atom calculator. Find the largest set of contiguous C atoms in a compound.

JChem^® structure comparison. See how JChem^® compares two structures.

JChem^® conformer comparison. Compare two conformers with JChem^®.

ACE toDisplay() tester. See how ACE will display an expression that an author types into a question statement or feedback.

A Web-based homework program that uses many of these tools can be found here.