Structure Database (LMSD)
Common Name
WE 20:1(12Z)/20:2(5Z,8Z)
Systematic Name
12Z-Eicosenyl 5Z,8Z-eicosadienoate
Synonyms
3D model of WE 20:1(12Z)/20:2(5Z,8Z)
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)
IBZKQWVVTCTRBQ-YQGKSOMOSA-N
InChi (Click to copy)
InChI=1S/C40H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,24,26,30,32H,3-14,16,18-23,25,27-29,31,33-39H2,1-2H3/b17-15-,26-24-,32-30-
SMILES (Click to copy)
O=C(CCC/C=C\C/C=C\CCCCCCCCCCC)OCCCCCCCCCCC/C=C\CCCCCCC
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
Aromatic Rings
Rotatable Bonds
35
Van der Waals Molecular Volume
707.58
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
14.23
Molar Refractivity
188.73
Admin
Created at
10th Jan 2025
Updated at
10th Jan 2025