Structure Database (LMSD)
Common Name
methyl 12,13-epoxy-9,15-octadecadienoate
Systematic Name
methyl 12,13-epoxy-9,15-octadecadienoate
Synonyms
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
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
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Updated at
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