Questions tagged [molecular-design]

For topics to do with finding molecules that match or optimize particular properties, for example, small molecules with high polarity, molecules with negative NMR shifts, or surprisingly long or short bonds.

In many cases in chemistry, we know properties that we wish to optimize, but not necessarily the molecular structure that maximizes or minimizes that property. The main challenge is the vast diversity of "molecular design space." While estimates vary, there are easily 1060 or more stable molecules.

Questions for "molecular design golf" challenges are included, but related problems outside of the monthly challenges that relate to "how do I find a molecule with property Y" can be considered as well.

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What's the longest C=C bond?

There's been ample work and media coverage on how to make a long C-C single bond. To my knowledge, the longest stable C-C bond is currently 1.704 Å, prepared by Schreiner Nature 477, 308–311 in 2011. All around us, there's considerable plastics,…
Geoff Hutchison
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