tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane

C11H22OSi — CID 11084826

IUPACtert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-9-11(5,6)12-13(7,8)10(2,3)4/h1H,2-8H3
InChIKeyGBZCUMOLXVTYSD-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.42
Rot. Bonds2

About tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane

tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane (PubChem CID 11084826) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane
PubChem CID11084826
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Nametert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane
SMILESC#CC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-9-11(5,6)12-13(7,8)10(2,3)4/h1H,2-8H3
InChIKeyGBZCUMOLXVTYSD-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane (CID 11084826) is tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane is C#CC(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane?
The InChIKey is GBZCUMOLXVTYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-9-11(5,6)12-13(7,8)10(2,3)4/h1H,2-8H3.
What are the key properties of tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane?
tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane has a molecular weight of 198.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane is sourced from PubChem (CID 11084826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).