Structure Database (LMSD)
Common Name
5-Ethylundecane-2,4-dione
Systematic Name
5-Ethylundecane-2,4-dione
Synonyms
3D model of 5-Ethylundecane-2,4-dione
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)
XCPDYBSBMIJFCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-4-6-7-8-9-12(5-2)13(15)10-11(3)14/h12H,4-10H2,1-3H3
SMILES (Click to copy)
CC(=O)CC(=O)C(CC)CCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
245.76
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.53
Molar Refractivity
62.85
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Created at
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Updated at
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