Structure Database (LMSD)

Common Name
4R-Methylheptan-3-one
Systematic Name
4R-Methylheptan-3-one
Synonyms
LM ID
LMFA12000091
Status
Active
Exact Mass
Calculate m/z
128.120115
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)
MVLRILUUXLBENA-SSDOTTSWSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
SMILES (Click to copy)
CCC(=O)[C@H](C)CCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 153.11
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.40
Molar Refractivity 39.37

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Created at
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Updated at
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