Structure Database (LMSD)
Common Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl propionate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl propionate
Synonyms
- WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/3:0)
No other lipid differing only in stereochemistry/bond geometry found
3D model of (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl propionate
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)
XFACLYNWBJYMCK-IUBLYSDUSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-6-18(19)20-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
SMILES (Click to copy)
O=C(CC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.64
Molar Refractivity
87.15
Admin
Created at
-
Updated at
6th Jun 2022