Structure Database (LMSD)
Common Name
5-Ethyltridecane-2,4-dione
Systematic Name
5-Ethyltridecane-2,4-dione
Synonyms
3D model of 5-Ethyltridecane-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)
RQUCUNVKAOKIPZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-14(5-2)15(17)12-13(3)16/h14H,4-12H2,1-3H3
SMILES (Click to copy)
CC(=O)CC(=O)C(CC)CCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
280.36
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.31
Molar Refractivity
72.08
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Created at
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Updated at
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