Structure Database (LMSD)
Common Name
6-((Z)-14-hydroxypentadec-8-en-1-yl)salicylic acid
Systematic Name
(Z)-2-hydroxy-6-(14-hydroxypentadec-8-en-1-yl)benzoic acid
Synonyms
3D model of 6-((Z)-14-hydroxypentadec-8-en-1-yl)salicylic 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)
BUUUHHZTSPVKDX-HYXAFXHYSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-18(23)14-11-9-7-5-3-2-4-6-8-10-12-15-19-16-13-17-20(24)21(19)22(25)26/h3,5,13,16-18,23-24H,2,4,6-12,14-15H2,1H3,(H,25,26)/b5-3-
SMILES (Click to copy)
C1C=C(CCCCCCC/C=C\CCCCC(O)C)C(C(O)=O)=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
387.86
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.76
Molar Refractivity
106.27
Admin
Created at
-
Updated at
-