Structure Database (LMSD)
Common Name
(Z)-3,7-Dimethyl-2,6-octadienyl hexanoate
Systematic Name
(Z)-3,7-Dimethyl-2,6-octadienyl hexanoate
Synonyms
- WE(8:2(2Z,6E)(3Me,7Me)/6:0)
3D model of (Z)-3,7-Dimethyl-2,6-octadienyl hexanoate
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)
ARVSCQUZFFSNKF-QINSGFPZSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-
SMILES (Click to copy)
O=C(CCCCC)OC/C=C(/C)\CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
295.02
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.09
Molar Refractivity
78.01
Admin
Created at
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Updated at
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