Structure Database (LMSD)
Common Name
13-keto-9Z-octadecenoic acid
Systematic Name
13-Oxo-9Z-octadecenoic acid
Synonyms
- (Z)-13-Oxo-9-octadecenoic acid
- 9(Z)-13-oxo-OME
3D model of 13-keto-9Z-octadecenoic 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)
LDYZTLZOFONHNA-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCC(=O)CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
338.41
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.29
Molar Refractivity
87.48
Admin
Created at
-
Updated at
15th Nov 2024