Structure Database (LMSD)
Common Name
7-Ethylundecane-4,6-dione
Systematic Name
7-Ethylundecane-4,6-dione
Synonyms
3D model of 7-Ethylundecane-4,6-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)
TYMWSTNXNVORLP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-4-7-9-11(6-3)13(15)10-12(14)8-5-2/h11H,4-10H2,1-3H3
SMILES (Click to copy)
CCCC(=O)CC(=O)C(CC)CCCC
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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