Structure Database (LMSD)
Common Name
3,5,7,9,11-dodecapentaenoic acid
Systematic Name
3,5,7,9,11-dodecapentaenoic acid
Synonyms
- C12:5n-1,3,5,7,9
3D model of 3,5,7,9,11-dodecapentaenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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String Representations
InChiKey (Click to copy)
JSPNCMDQJNUPED-BYFNFPHLSA-N
InChi (Click to copy)
InChI=1S/C12H14O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-10H,1,11H2,(H,13,14)/b4-3+,6-5+,8-7+,10-9+
SMILES (Click to copy)
C(C/C=C/C=C/C=C/C=C/C=C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
217.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.87
Molar Refractivity
59.01
Admin
Created at
-
Updated at
25th Apr 2022