Structure Database (LMSD)
Common Name
Methyl 6E-nonenoate
Systematic Name
Methyl 6E-nonenoate
Synonyms
- WE(1:0/9:1(6E))
3D model of Methyl 6E-nonenoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
IAXJWKAHMIYBRY-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5H,3,6-9H2,1-2H3/b5-4+
SMILES (Click to copy)
O=C(CCCC/C=C/CC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.69
Molar Refractivity
49.92
Admin
Created at
-
Updated at
6th Jun 2022