Structure Database (LMSD)
Common Name
2-propyl-9Z-octadecenoic Acid
Systematic Name
2-propyl-9Z-octadecenoic Acid
Synonyms
3D model of 2-propyl-9Z-octadecenoic Acid
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)
QWGQAJUZRWMSJR-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H,22,23)/b12-11-
SMILES (Click to copy)
C(CCCCCC(CCC)C(=O)O)/C=C\CCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
384.16
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.13
Molar Refractivity
100.87
Admin
Created at
-
Updated at
-