Structure Database (LMSD)
Common Name
WE 22:1(12Z)/14:1(6Z)
Systematic Name
12Z-Docosenyl 6Z-tetradecenoate
Synonyms
3D model of WE 22:1(12Z)/14:1(6Z)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
DJBWUQQCPIWHKG-KHANVWSSSA-N
InChi (Click to copy)
InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-14-12-10-8-6-4-2/h17-18,24,26H,3-16,19-23,25,27-35H2,1-2H3/b18-17-,26-24-
SMILES (Click to copy)
O=C(CCCC/C=C\CCCCCCC)OCCCCCCCCCCC/C=C\CCCCCCCCC
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
Aromatic Rings
Rotatable Bonds
32
Van der Waals Molecular Volume
641.02
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
12.89
Molar Refractivity
170.35
Admin
Created at
16th Jan 2025
Updated at
16th Jan 2025