Structure Database (LMSD)

Common Name
7-Ethylheptadecane-4,6-dione
Systematic Name
7-Ethylheptadecane-4,6-dione
Synonyms
LM ID
LMFA12000270
Status
Active
Exact Mass
Calculate m/z
296.27153
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
PZVLPNHRVJKPJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-4-7-8-9-10-11-12-13-15-17(6-3)19(21)16-18(20)14-5-2/h17H,4-16H2,1-3H3
SMILES (Click to copy)
CCCC(=O)CC(=O)C(CC)CCCCCCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 90.55

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Created at
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Updated at
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