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I want to know if there is a formula for calculating the number of isomers an organic compound can have. I was trying to work on a formula to calculate the number of isomers for an organic compound. It worked for some but for others it didn't.

Igloo writes
This topic has intrigued numerous scientists for over 130 years, but even now no such formula or algorithm exists, even for the most basic of homologous series - the alkanes. In a sense this does seem surprising in view of the fact that the construction of isomers would appear to follow a logical and predictable process.
 
I suggest you read:
http://www.scctm.org/Awards/Ballard_Paper.pdf
which chronicles the research which has been carried out in the past and also describes more recent work undertaken.
 
In addition, if you use Google with something like "calculating the number of isomers" as a search phrase you will find several other relevant and interesting articles.

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updated: 15 December 2006

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