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Specification
The molecular formula of 3-Methyl-1-dodecyn-3-ol is C13H24O.
The molecular weight of 3-Methyl-1-dodecyn-3-ol is 196.33 g/mol.
The IUPAC name of 3-Methyl-1-dodecyn-3-ol is 3-methyldodec-1-yn-3-ol.
The InChI of 3-Methyl-1-dodecyn-3-ol is InChI=1S/C13H24O/c1-4-6-7-8-9-10-11-12-13(3,14)5-2/h2,14H,4,6-12H2,1,3H3.
The InChIKey of 3-Methyl-1-dodecyn-3-ol is INASARODRJUTTN-UHFFFAOYSA-N.
The canonical SMILES representation of 3-Methyl-1-dodecyn-3-ol is CCCCCCCCCC(C)(C#C)O.
The CAS number of 3-Methyl-1-dodecyn-3-ol is 24424-78-0.
The European Community (EC) number of 3-Methyl-1-dodecyn-3-ol is 809-090-3.
The XLogP3-AA value of 3-Methyl-1-dodecyn-3-ol is 4.4.
Yes, 3-Methyl-1-dodecyn-3-ol is a canonicalized compound.