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
Main
Classification
Category
Main Class
Sub Class
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
References
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
Admin
Created at
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Updated at
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