Structure Database (LMSD)
Common Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl nonanoate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl nonanoate
Synonyms
- WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/9:0)
3D model of (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl nonanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
PTGYDEYLBOXVAU-SZAMPSRSSA-N
InChi (Click to copy)
InChI=1S/C24H42O2/c1-6-7-8-9-10-11-18-24(25)26-20-19-23(5)17-13-16-22(4)15-12-14-21(2)3/h14,16,19H,6-13,15,17-18,20H2,1-5H3/b22-16+,23-19+
SMILES (Click to copy)
O=C(CCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
430.78
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.98
Molar Refractivity
114.86
Admin
Created at
-
Updated at
-