Structure Database (LMSD)
Common Name
Type IV cyanolipid 18:1 ester
Systematic Name
(1-cyano-2-methylprop-2-en-1-yl) 9Z-octadecenoate
Synonyms
3D model of Type IV cyanolipid 18:1 ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
VXWKQNPQRJWPAU-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C23H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)26-22(20-24)21(2)3/h11-12,22H,2,4-10,13-19H2,1,3H3/b12-11-
SMILES (Click to copy)
C(OC(C#N)C(C)=C)(=O)CCCCCCC/C=C\CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
421.84
Topological Polar Surface Area
50.09
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
7.32
Molar Refractivity
110.27
Admin
Created at
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Updated at
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