Structure Database (LMSD)
Common Name
11,12-epoxy-14Z-Eicosenoic acid
Systematic Name
11,12-epoxy-14Z-Eicosenoic acid
Synonyms
- (2Z)-3-(2-octenyl)-Oxiranedecanoic acid
- 11,12-Epoxy-14c-eicosenoic acid
3D model of 11,12-epoxy-14Z-Eicosenoic 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)
DTMJFRNHKXMKBD-XFXZXTDPSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h9,12,18-19H,2-8,10-11,13-17H2,1H3,(H,21,22)/b12-9-
SMILES (Click to copy)
O1C(C/C=C\CCCCC)C1CCCCCCCCCC(O)=O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
363.29
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.45
Molar Refractivity
96.77
Admin
Created at
-
Updated at
-