Structure Database (LMSD)
Common Name
Methyl 9Z-hexadecenoate
Systematic Name
Methyl 9Z-hexadecenoate
Synonyms
- WE(1:0/16:1(9Z))
3D model of Methyl 9Z-hexadecenoate
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)
IZFGRAGOVZCUFB-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OC
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
314.96
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.42
Molar Refractivity
82.23
Admin
Created at
-
Updated at
6th Jun 2022