Structure Database (LMSD)
Common Name
11,12-Epoxyeicosatrienoic acid
Systematic Name
(5E,8E)-10-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid
Synonyms
3D model of 11,12-Epoxyeicosatrienoic acid
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)
DXOYQVHGIODESM-ATELOPIESA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10+
SMILES (Click to copy)
O1C(C/C=C/C/C=C/CCCC(=O)O)C1C/C=C/CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
358.01
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.00
Molar Refractivity
96.58
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Created at
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Updated at
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