[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate

C25H30F3O4PSSi — CID 134976930

IUPAC[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
SMILESCCC(O[Si](C)(C)C)P(OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30F3O4PSSi/c1-5-24(31-35(2,3)4)33(21-15-9-6-10-16-21,22-17-11-7-12-18-22,23-19-13-8-14-20-23)32-34(29,30)25(26,27)28/h6-20,24H,5H2,1-4H3
InChIKeyFGXJIWYMQXTLAL-UHFFFAOYSA-N
MW542.63 g/mol
LogP5.89
Rot. Bonds9

About [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate

[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate (PubChem CID 134976930) has the molecular formula C25H30F3O4PSSi and a molecular weight of 542.63 g/mol. Its IUPAC name is [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
PubChem CID134976930
Molecular FormulaC25H30F3O4PSSi
Molecular Weight542.63 g/mol
Exact Mass542.13
IUPAC Name[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate
SMILESCCC(O[Si](C)(C)C)P(OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30F3O4PSSi/c1-5-24(31-35(2,3)4)33(21-15-9-6-10-16-21,22-17-11-7-12-18-22,23-19-13-8-14-20-23)32-34(29,30)25(26,27)28/h6-20,24H,5H2,1-4H3
InChIKeyFGXJIWYMQXTLAL-UHFFFAOYSA-N
XLogP5.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
CID 12027763
[triphenyl-[(E)-undec-2-enyl]-λ5-phosphanyl] trifluoromethanesulfonate
CID 134978514
[benzenesulfonylmethyl(triphenyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 134976892
[diethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 87831914
[[(Z)-4-(4-methylphenyl)but-3-enyl]-triphenyl-λ5-phosphanyl] trifluoromethanesulfonate
CID 134977072
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210
[2-[di(butan-2-yl)-phenylsilyl]phenyl] trifluoromethanesulfonate
CID 135075912
[di(butan-2-yl)-(2-phenylpropan-2-yl)silyl] trifluoromethanesulfonate
CID 142554281
1-(trifluoromethylsulfonyl)propoxybenzene
CID 67622451
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
[(2R)-2-(1,3-dioxoisoindol-2-yl)butyl] trifluoromethanesulfonate
CID 10020821

Frequently Asked Questions

What is the IUPAC name of [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The IUPAC name of [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate (CID 134976930) is [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate.
What is the SMILES notation for [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The canonical SMILES for [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate is CCC(O[Si](C)(C)C)P(OS(=O)(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
The InChIKey is FGXJIWYMQXTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3O4PSSi/c1-5-24(31-35(2,3)4)33(21-15-9-6-10-16-21,22-17-11-7-12-18-22,23-19-13-8-14-20-23)32-34(29,30)25(26,27)28/h6-20,24H,5H2,1-4H3.
What are the key properties of [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate?
[triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate has a molecular weight of 542.63 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [triphenyl(1-trimethylsilyloxypropyl)-λ5-phosphanyl] trifluoromethanesulfonate is sourced from PubChem (CID 134976930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).