Structure Database (LMSD)
Common Name
8-keto palmitic acid
Systematic Name
8-oxo-hexadecanoic acid
Synonyms
3D model of 8-keto palmitic 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)
SEWAOKNHYLYQEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCC(=O)CCCCCCCC)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
306.45
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.73
Molar Refractivity
78.34
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Created at
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Updated at
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