Structure Database (LMSD)
Common Name
3-Ethylundecan-2,4-dione
Systematic Name
3-Ethylundecan-2,4-dione
Synonyms
3D model of 3-Ethylundecan-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)
BKGWAHFRRDOJBN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-12(14)10(2)11(3)13/h10H,4-9H2,1-3H3
SMILES (Click to copy)
CC(=O)C(C)C(=O)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.14
Molar Refractivity
58.23
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Created at
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Updated at
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