Chem Methyl Iso Butyl Ketone | Cheminformatics
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2D Structure

Methyl Iso Butyl Ketone


  • SKU Code: CH137348
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Chemical Name - Methyl Iso Butyl Ketone
Mol Weight - 100.16
Smiles - CC(C)CC(C)=O
Property Name Property Value
Mol NameMethyl Iso Butyl Ketone
Molweight100.16
Monoisotopic Mass100.088815
Clogp1.5057
Clogs-1.606
H Acceptors1
Total Surface Area94.29
Relative Psa0.1383
Polar Surface Area17.07
Druglikeness-5.2944
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.71429
Molecular Flexibility0.73483
Molecular Complexity0.53648
Fragments1
Non H Atoms7
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds2
Sp3 Atoms5
Symmetric Atoms1
SmilesCC(C)CC(C)=O
InChIKeyInChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChINTIZESTWPVYFNL-UHFFFAOYSA-N

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