CAS
95849-26-6 Purity
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95849-26-6 Purity
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The molecular formula is C16H32O.
The structure was first created on 2007-12-05.
The molecular weight is 240.42 g/mol.
The IUPAC name is 1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol.
The Canonical SMILES representation is CCCC(CCC1C(CCC(C1(C)C)C)C)O.
The InChIKey is ZXEXKFFXTYZXJT-UHFFFAOYSA-N.
There is 1 hydrogen bond donor count.
The topological polar surface area is 20.2 Å2.
Yes, the compound is canonicalized.
There are 4 undefined atom stereocenter counts.