Structure Database (LMSD)
Common Name
9-Ketooctacosanoic acid
Systematic Name
9-oxo-Octacosanoic acid
Synonyms
- Octacosanoic acid, 9-oxo-
3D model of 9-Ketooctacosanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JMIGCFVTGQGONA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-27(29)25-22-19-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31)
SMILES (Click to copy)
C(CCCCCCCC(=O)CCCCCCCCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
514.05
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
9.41
Molar Refractivity
133.74
Admin
Created at
-
Updated at
25th Mar 2024