Structure Database (LMSD)
Common Name
3,6-dioxo-decanoic acid
Systematic Name
3,6-dioxo-decanoic acid
Synonyms
LM ID
LMFA01060079
Formula
Exact Mass
Calculate m/z
200.10486
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3,6-dioxo-decanoic 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)
AEVOBXGBFZDZTC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O4/c1-2-3-4-8(11)5-6-9(12)7-10(13)14/h2-7H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CC(=O)CCC(=O)CCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
208.80
Topological Polar Surface Area
71.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
1.57
Molar Refractivity
51.03
Admin
Created at
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Updated at
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