Structure Database (LMSD)
Common Name
Gondoyl-linoleate
Systematic Name
11Z-eicosenyl 9Z,12Z-octadecadienoate
Synonyms
- WE(20:1(11Z)/18:2(9Z,12Z))
3D model of Gondoyl-linoleate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NIYHNGXBTLSPQK-XPRREUMXSA-N
InChi (Click to copy)
InChI=1S/C40H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,24H,3-11,13,15-17,19,22-23,25-39H2,1-2H3/b14-12-,21-20-,24-18-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\CCCCC)OCCCCCCCCCC/C=C\CCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
35
Van der Waals Molecular Volume
707.58
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
14.23
Molar Refractivity
188.73
Admin
Created at
-
Updated at
-