Structure Database (LMSD)
Common Name
11Z,14Z,17Z-Eicosatrienyl isobutyrate
Systematic Name
11Z,14Z,17Z-Eicosatrienyl isobutyrate
Synonyms
- WE(20:3(11Z,14Z,17Z)/3:0(2Me))
3D model of 11Z,14Z,17Z-Eicosatrienyl isobutyrate
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)
FRYDRWKXCKGLSO-AGRJPVHOSA-N
InChi (Click to copy)
InChI=1S/C24H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h5-6,8-9,11-12,23H,4,7,10,13-22H2,1-3H3/b6-5-,9-8-,12-11-
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
430.78
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.84
Molar Refractivity
114.79
Admin
Created at
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Updated at
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