Structure Database (LMSD)
Common Name
12-hydroxy-8E,10E-heptadecadienoic acid
Systematic Name
12-hydroxy-8E,10E-heptadecadienoic acid
Synonyms
3D model of 12-hydroxy-8E,10E-heptadecadienoic 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)
INVCGLRLLKLTGP-SIGMCMEVSA-N
InChi (Click to copy)
InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
SMILES (Click to copy)
C(CCCCCC/C=C/C=C/C(O)CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
321.11
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.75
Molar Refractivity
84.28
Admin
Created at
-
Updated at
-