Structure Database (LMSD)
Common Name
5-oxo capric acid
Systematic Name
5-oxo-decanoic acid
Synonyms
3D model of 5-oxo capric 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)
SDKDCMWTAOZNGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h2-8H2,1H3,(H,12,13)
SMILES (Click to copy)
C(=O)(CCCCC)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
202.65
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.39
Molar Refractivity
50.64
Admin
Created at
-
Updated at
-