[4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate

C23H23F3O4SSi — CID 135011089

IUPAC[4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate
SMILESCC(C)(C)[Si](Oc1ccc(OS(=O)(=O)C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23F3O4SSi/c1-22(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-19-16-14-18(15-17-19)29-31(27,28)23(24,25)26/h4-17H,1-3H3
InChIKeyGFYKHTJEJXKRJS-UHFFFAOYSA-N
MW480.58 g/mol
LogP4.85
Rot. Bonds6

About [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate

[4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate (PubChem CID 135011089) has the molecular formula C23H23F3O4SSi and a molecular weight of 480.58 g/mol. Its IUPAC name is [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate
PubChem CID135011089
Molecular FormulaC23H23F3O4SSi
Molecular Weight480.58 g/mol
Exact Mass480.10
IUPAC Name[4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate
SMILESCC(C)(C)[Si](Oc1ccc(OS(=O)(=O)C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23F3O4SSi/c1-22(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-19-16-14-18(15-17-19)29-31(27,28)23(24,25)26/h4-17H,1-3H3
InChIKeyGFYKHTJEJXKRJS-UHFFFAOYSA-N
XLogP4.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Methyltriphenoxyphosphonium trifluoromethanesulfonate
CID 21150939
[2-[(3-Fluorophenyl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
CID 102031444
[2-[Diethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 102031445
[2-[Dibutyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 102392241
[2-[Phenyl-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
CID 134941559
(3-Triethylsilyl-2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 134947857
[3-[Tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate
CID 135010975
[2-[Dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579
[2-[Di(butan-2-yl)-phenylsilyl]phenyl] trifluoromethanesulfonate
CID 135075912
[2-[Tert-butyl(diphenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135075913
(2-Triphenylsilylphenyl) trifluoromethanesulfonate
CID 135076346
[2-[Tert-butyl(dimethyl)silyl]-6-trimethylsilylphenyl] trifluoromethanesulfonate
CID 164669166

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate?
The IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate (CID 135011089) is [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate.
What is the SMILES notation for [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate?
The canonical SMILES for [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate is CC(C)(C)[Si](Oc1ccc(OS(=O)(=O)C(F)(F)F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate?
The InChIKey is GFYKHTJEJXKRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3O4SSi/c1-22(2,3)32(20-10-6-4-7-11-20,21-12-8-5-9-13-21)30-19-16-14-18(15-17-19)29-31(27,28)23(24,25)26/h4-17H,1-3H3.
What are the key properties of [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate?
[4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate has a molecular weight of 480.58 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(diphenyl)silyl]oxyphenyl] trifluoromethanesulfonate is sourced from PubChem (CID 135011089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).