374-01-6 Purity
96%
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Specification
The molecular formula of 2,2-Dimethyl-3-pentanol is C7H16O.
The molecular weight of 2,2-Dimethyl-3-pentanol is 116.20 g/mol.
The IUPAC name of 2,2-Dimethyl-3-pentanol is 2,2-dimethylpentan-3-ol.
The InChI of 2,2-Dimethyl-3-pentanol is InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3.
The InChIKey of 2,2-Dimethyl-3-pentanol is HMSVXZJWPVIVIV-UHFFFAOYSA-N.
The canonical SMILES of 2,2-Dimethyl-3-pentanol is CCC(C(C)(C)C)O.
The CAS number of 2,2-Dimethyl-3-pentanol is 3970-62-5.
The EC number of 2,2-Dimethyl-3-pentanol is 223-592-4.
The ChEMBL ID of 2,2-Dimethyl-3-pentanol is CHEMBL1511411.
Yes, 2,2-Dimethyl-3-pentanol is a canonicalized compound.