PerkinElmer Informatics Support Forum
Decrease font size
Increase font size
Topic Title: Convert Name to Structure Error
Topic Summary: Wrong structure drawn
Created On: 2/20/2018 5:14 PM
Status Post and Reply
Linear : Threading : Single : Branch
Topic Tools Topic Tools
View topic in raw text format. Print this topic.
 2/20/2018 5:14 PM
User is offline View Users Profile Print this message


RSD15

Posts: 4
Joined: 2/19/2018

Convert Name to Structure command for caproic acid draws capric acid instead. Caprylic acid and capric acid are drawn correctly. ChemDraw Pro 17.0.0.206.

 3/1/2018 10:30 AM
User is offline View Users Profile Print this message


MikeF

Posts: 16
Joined: 12/28/2012

Helo RSD15, your issue has been encountered before. Please, try reviewing the FAQ link here for a resolution to your issue: http://www.cambridgesoft.com/support/DesktopSupport/KnowledgeBase/FAQ/details/Default.aspx?TechNote=271&KBCats=2&KBTopics=24&KBOS=9999

 3/1/2018 11:25 AM
User is offline View Users Profile Print this message


RSD15

Posts: 4
Joined: 2/19/2018

MikeF,

I realize that ChemDraw can often draw incorrect structures if they are ambiguous. However, I used an accepted common name for hexanoic acid (caproic acid) and ChemDraw returned decanoic acid. ChemDraw correctly predicts other members of the C3-C10 carboxylic acid series when common names are entered: propionic (3), butyric (4), valeric (5), enanthic (7), caprylic (8), pelargonic (9), and capric (10). Only caproic is wrong.

I would not have have been able to draw enanthic acid from memory, as it is rarely encountered in organic labs, but ChemDraw correctly drew heptanoic acid. So, Chemdraw has correct common names for all the other acids except for caproic. Caproic acid is an error in the database or algorithm ChemDraw uses.

If common names are too ambiguous, ChemDraw should just return an error, instead of providing the incorrect structure.



Edited: 3/1/2018 at 11:49 AM by RSD15

FuseTalk Basic Edition v4.0 - © 1999-2018 FuseTalk Inc. All rights reserved.