Structure Database (LMSD)
Common Name
(Z)-3,7-Dimethyl-2,6-octadienyl butyrate
Systematic Name
(Z)-3,7-Dimethyl-2,6-octadienyl butyrate
Synonyms
- WE(8:2(2Z,6E)(3Me,7Me)/4:0)
3D model of (Z)-3,7-Dimethyl-2,6-octadienyl butyrate
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)
ZSBOMYJPSRFZAL-RAXLEYEMSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
SMILES (Click to copy)
O=C(CCC)OC/C=C(/C)\CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
260.42
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.31
Molar Refractivity
68.78
Admin
Created at
-
Updated at
6th Jun 2022