Structure Database (LMSD)
Common Name
22:1(5Z)(9Me,13Me,17Me,21Me)
Systematic Name
9,13,17,21-tetramethyl-5Z-docosenoic acid
Synonyms
3D model of 22:1(5Z)(9Me,13Me,17Me,21Me)
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
String Representations
InChiKey (Click to copy)
PGZQYUXXHFRSFY-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C26H50O2/c1-22(2)14-11-16-24(4)18-13-20-25(5)19-12-17-23(3)15-9-7-6-8-10-21-26(27)28/h6-7,22-25H,8-21H2,1-5H3,(H,27,28)/b7-6-
SMILES (Click to copy)
C(CCC/C=C\CCC(C)CCCC(C)CCCC(C)CCCC(C)C)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
470.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.65
Molar Refractivity
123.74
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Created at
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Updated at
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