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Specification
The molecular formula of 3-Methyl-1-nonyn-3-ol is C10H18O.
The molecular weight of 3-Methyl-1-nonyn-3-ol is 154.25 g/mol.
The IUPAC name of 3-Methyl-1-nonyn-3-ol is 3-methylnon-1-yn-3-ol.
The InChI of 3-Methyl-1-nonyn-3-ol is InChI=1S/C10H18O/c1-4-6-7-8-9-10(3,11)5-2/h2,11H,4,6-9H2,1,3H3.
The InChIKey of 3-Methyl-1-nonyn-3-ol is VQUXVWMAXIQKTQ-UHFFFAOYSA-N.
The canonical SMILES of 3-Methyl-1-nonyn-3-ol is CCCCCCC(C)(C#C)O.
The CAS number of 3-Methyl-1-nonyn-3-ol is 5430-01-3.
The XLogP3-AA value of 3-Methyl-1-nonyn-3-ol is 2.8.
There is 1 hydrogen bond donor count in 3-Methyl-1-nonyn-3-ol.
There are 6 rotatable bond counts in 3-Methyl-1-nonyn-3-ol.