Structure Database (LMSD)
Common Name
Gorlic acid
Systematic Name
13R-(2-cyclopenten-1-yl)-6Z-tridecenoic acid
Synonyms
3D model of Gorlic acid
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
String Representations
InChiKey (Click to copy)
XADKGDBMULSEAC-MMTGSJLXSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2-/t17-/m0/s1
SMILES (Click to copy)
C(O)(=O)CCCC/C=C\CCCCCC[C@@]1([H])C=CCC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
317.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.49
Molar Refractivity
84.81
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Created at
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Updated at
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