93981-49-8 Purity
96%
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Specification
The molecular formula of [2,2-Bis-(hexyloxy)ethyl]benzene is C20H34O2.
[2,2-Bis-(hexyloxy)ethyl]benzene was created on PubChem on 2005-08-08.
The IUPAC name of [2,2-Bis-(hexyloxy)ethyl]benzene is 2,2-dihexoxyethylbenzene.
The InChI of [2,2-Bis-(hexyloxy)ethyl]benzene is InChI=1S/C20H34O2/c1-3-5-7-12-16-21-20(22-17-13-8-6-4-2)18-19-14-10-9-11-15-19/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3.
The Canonical SMILES of [2,2-Bis-(hexyloxy)ethyl]benzene is CCCCCCOC(CC1=CC=CC=C1)OCCCCCC.
The molecular weight of [2,2-Bis-(hexyloxy)ethyl]benzene is 306.5 g/mol.
[2,2-Bis-(hexyloxy)ethyl]benzene has 2 hydrogen bond acceptor counts.
The topological polar surface area of [2,2-Bis-(hexyloxy)ethyl]benzene is 18.5 Å2.
[2,2-Bis-(hexyloxy)ethyl]benzene has 14 rotatable bond counts.
Yes, the compound [2,2-Bis-(hexyloxy)ethyl]benzene is canonicalized in PubChem.