Structure Database (LMSD)
Common Name
Mikusch's acid
Systematic Name
10E,12E-octadecadienoic acid
Synonyms
- trans-10, trans-12-octadecadienoic acid
- C18:2n-6,8
3D model of Mikusch's 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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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chilopsis linearis
(#69901)
Magnoliopsida
(#3398)
Isolation of a Natural Isomer of Linoleic Acid from a Seed Oil,
J Am Oil Chem Soc, 1964
J Am Oil Chem Soc, 1964
DOI:
10.1007/BF02661901
String Representations
InChiKey (Click to copy)
GKJZMAHZJGSBKD-BLHCBFLLSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8+
SMILES (Click to copy)
C(=C/C=C/CCCCC)\CCCCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
329.62
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.88
Molar Refractivity
86.99
Admin
Created at
-
Updated at
25th Apr 2022