Structure Database (LMSD)
Common Name
10-oxo-5,8-decadienoic acid
Systematic Name
10-oxo-5,8-decadienoic acid
Synonyms
3D model of 10-oxo-5,8-decadienoic 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)
MZGVULWVGXGTIS-SMMBBOSVSA-N
InChi (Click to copy)
InChI=1S/C10H14O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-2,5,7,9H,3-4,6,8H2,(H,12,13)/b2-1+,7-5+
SMILES (Click to copy)
C(CCC/C=C/C/C=C/C([H])=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
197.37
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.94
Molar Refractivity
50.45
Admin
Created at
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Updated at
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