Structure Database (LMSD)
Common Name
Isorumelenic acid
Systematic Name
9Z,13E,15Z-octadecatrienoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
REOBRTYMNNYVNT-NZCJRGAMSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-6,9-10H,2,7-8,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC/C=C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.66
Molar Refractivity
86.9
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Created at
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Updated at
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