Structure Database (LMSD)
Common Name
(E)-3,7-Dimethyl-6-octenyl 3,7-dimethyl-2,6-octadienoate
Systematic Name
(E)-3,7-Dimethyl-6-octenyl 3,7-dimethyl-2,6-octadienoate
Synonyms
- WE(8:1(6E)(3Me,7Me)/8:2(2,6)(3Me,7Me))
3D model of (E)-3,7-Dimethyl-6-octenyl 3,7-dimethyl-2,6-octadienoate
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)
BKDMRKWDXFGRBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9,17-19H,7-8,10-15H2,1-6H3
SMILES (Click to copy)
O=C(CC(C)CCCC(C)C)OCCC(C)CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
366.86
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.44
Molar Refractivity
96.37
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Created at
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Updated at
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