Structure Database (LMSD)
Common Name
3-keto-n-caprylic acid
Systematic Name
3-oxo-octanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-keto-n-caprylic 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)
FWNRRWJFOZIGQZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11)
SMILES (Click to copy)
C(CCC)CC(=O)CC(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
168.05
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.61
Molar Refractivity
41.40
Admin
Created at
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Updated at
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