bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate

C15H34F3NO5SSi2 — CID 23727144

IUPACbis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate
SMILESCC=[N+](O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C14H34NO2Si2.CHF3O3S/c1-12-15(16-18(8,9)13(2,3)4)17-19(10,11)14(5,6)7;2-1(3,4)8(5,6)7/h12H,1-11H3;(H,5,6,7)/q+1;/p-1
InChIKeyZITXVFQJXDJTJA-UHFFFAOYSA-M
MW453.67 g/mol
LogP5.01
Rot. Bonds4

About bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate

bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate (PubChem CID 23727144) has the molecular formula C15H34F3NO5SSi2 and a molecular weight of 453.67 g/mol. Its IUPAC name is bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namebis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate
PubChem CID23727144
Molecular FormulaC15H34F3NO5SSi2
Molecular Weight453.67 g/mol
Exact Mass453.16
IUPAC Namebis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate
SMILESCC=[N+](O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C14H34NO2Si2.CHF3O3S/c1-12-15(16-18(8,9)13(2,3)4)17-19(10,11)14(5,6)7;2-1(3,4)8(5,6)7/h12H,1-11H3;(H,5,6,7)/q+1;/p-1
InChIKeyZITXVFQJXDJTJA-UHFFFAOYSA-M
XLogP5.01
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate?
The IUPAC name of bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate (CID 23727144) is bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate.
What is the SMILES notation for bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate?
The canonical SMILES for bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate is CC=[N+](O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate?
The InChIKey is ZITXVFQJXDJTJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H34NO2Si2.CHF3O3S/c1-12-15(16-18(8,9)13(2,3)4)17-19(10,11)14(5,6)7;2-1(3,4)8(5,6)7/h12H,1-11H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate?
bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate has a molecular weight of 453.67 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate is sourced from PubChem (CID 23727144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).