Structure Database (LMSD)
Common Name
2-methoxy-5Z-hexadecenoic acid
Systematic Name
2-methoxy-5Z-hexadecenoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IZQFBIOUXQEERU-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H,3-11,14-15H2,1-2H3,(H,18,19)/b13-12-
SMILES (Click to copy)
OC(C(OC)CC/C=C\CCCCCCCCCC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
323.75
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.24
Molar Refractivity
84.55
Admin
Created at
-
Updated at
14th Jun 2021