Structure Database (LMSD)
Common Name
methyl 12,13-epoxy-9,15-octadecadienoate
Systematic Name
methyl 12,13-epoxy-9,15-octadecadienoate
Synonyms
3D model of methyl 12,13-epoxy-9,15-octadecadienoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UKZBTRSYQIJJLK-RUVIVGLCSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h4,9,11-12,17-18H,3,5-8,10,13-16H2,1-2H3/b11-4+,12-9+
SMILES (Click to copy)
C(/CC1OC1C/C=C/CC)=C\CCCCCCCC(=O)OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
High pressure liquid chromatography of autoxidized lipids: II. Hydroperoxy-cyclic peroxides and other secondary products from methyl linolenate,
Lipids, 1981
Lipids, 1981
DOI:
10.1007/BF02535012
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
343.35
Topological Polar Surface Area
38.83
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.53
Molar Refractivity
91.83
Admin
Created at
-
Updated at
7th Jun 2022