Structure Database (LMSD)
Common Name
7-methyl-6-oxo-octanoic acid
Systematic Name
7-methyl-6-oxo-octanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 7-methyl-6-oxo-octanoic 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)
OCTWQXZMIOXBML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O3/c1-7(2)8(10)5-3-4-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
SMILES (Click to copy)
C(CCCCC(=O)C(C)C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
185.35
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.86
Molar Refractivity
45.95
Admin
Created at
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Updated at
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