Structure Database (LMSD)
Common Name
2,3-Decanedione
Systematic Name
2,3-Decanedione
Synonyms
3D model of 2,3-Decanedione
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
WIOUGFYMCDRKCA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-10(12)9(2)11/h3-8H2,1-2H3
SMILES (Click to copy)
CC(=O)C(=O)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.50
Molar Refractivity
49.06
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Created at
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Updated at
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