Structure Database (LMSD)
Common Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl pentanoate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl pentanoate
Synonyms
- WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/5:0)
3D model of (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl pentanoate
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)
WLNFGKOLWOXXAF-XYAZGONESA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+
SMILES (Click to copy)
O=C(CCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
361.58
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.42
Molar Refractivity
96.39
Admin
Created at
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Updated at
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