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Chem Methyl Tertiary Butyl Ether | Cheminformatics

Methyl Tertiary Butyl Ether


  • SKU Code: CH137357
Chemical Name - Methyl Tertiary Butyl Ether
Mol Weight - 88.1493
Smiles - CC(C)(C)OC
Property Name Property Value
Mol NameMethyl Tertiary Butyl Ether
Molweight88.1493
Monoisotopic Mass88.088815
Clogp1.2183
Clogs-1.092
H Acceptors1
Total Surface Area82.95
Relative Psa0.12055
Polar Surface Area9.23
Druglikeness-12.129
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.64818
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms6
Symmetric Atoms2
SmilesCC(C)(C)OC
InChIKeyInChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
InChIBZLVMXJERCGZMT-UHFFFAOYSA-N

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1 - Methyl Tertiary Butyl Ether
2 - Methyl Tertiary Butyl Ether
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