Structure Database (LMSD)

Common Name
Decan-4-one
Systematic Name
Decan-4-one
Synonyms
LM ID
LMFA12000045
Status
Active
Exact Mass
Calculate m/z
156.151415
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)
MKJDUHZPLQYUCB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3
SMILES (Click to copy)
CCCC(=O)CCCCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.33
Molar Refractivity 48.67

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Created at
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Updated at
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