Structure Database (LMSD)
Common Name
10-HOTrE
Systematic Name
10-hydroxy-8E,12Z,15Z-octadecatrienoic acid
Synonyms
3D model of 10-HOTrE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
DOXKSWPVZWGPDC-STYPZPEKSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,8,11-12,15,17,19H,2,5-7,9-10,13-14,16H2,1H3,(H,20,21)/b4-3-,11-8-,15-12+
SMILES (Click to copy)
C(CCCCCC/C=C/C(O)C/C=C\C/C=C\CC)(=O)O
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
335.77
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.92
Molar Refractivity
88.80
Admin
Created at
9th Jan 2025
Updated at
9th Jan 2025