Structure Database (LMSD)

Common Name
pentan-3-one
Systematic Name
pentan-3-one
Synonyms
LM ID
LMFA12000001
Formula
Exact Mass
Calculate m/z
86.073165
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
FDPIMTJIUBPUKL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
SMILES (Click to copy)
CCC(=O)CC

References

Other Databases

Wikipedia
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 101.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.38
Molar Refractivity 25.59

Admin

Created at
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Updated at
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