Structure Database (LMSD)
Common Name
17-oxo-20Z-hexacosenoic acid
Systematic Name
17-oxo-20Z-hexacosenoic acid
Synonyms
3D model of 17-oxo-20Z-hexacosenoic 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)
KBDNHCBOCXMQNL-SSZFMOIBSA-N
InChi (Click to copy)
InChI=1S/C26H48O3/c1-2-3-4-5-13-16-19-22-25(27)23-20-17-14-11-9-7-6-8-10-12-15-18-21-24-26(28)29/h13,16H,2-12,14-15,17-24H2,1H3,(H,28,29)/b16-13-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC(=O)CC/C=C\CCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
476.81
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
8.41
Molar Refractivity
124.41
Admin
Created at
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Updated at
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