CAS
96722-67-7 Purity
96%
96722-67-7 Purity
96%
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The molecular formula is C11H22O2.
The molecular weight is 186.29 g/mol.
The IUPAC name is 2-methylpropyl 2-ethyl-2-methylbutanoate.
The InChI is InChI=1S/C11H22O2/c1-6-11(5,7-2)10(12)13-8-9(3)4/h9H,6-8H2,1-5H3.
The InChIKey is TVNMPNXDTXVZKV-UHFFFAOYSA-N.
The canonical SMILES is CCC(C)(CC)C(=O)OCC(C)C.
The CAS number is 96723-99-8.
The European Community (EC) number is 619-240-8.
The XLogP3-AA value is 3.6.
Yes, 2-Methylpropyl 2-ethyl-2-methyl-butanoate is canonicalized.