tripropylsilyl trifluoromethanesulfonate

C10H21F3O3SSi — CID 22728496

IUPACtripropylsilyl trifluoromethanesulfonate
SMILESCCC[Si](CCC)(CCC)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3O3SSi/c1-4-7-18(8-5-2,9-6-3)16-17(14,15)10(11,12)13/h4-9H2,1-3H3
InChIKeyYVXGFRYOIRBVJP-UHFFFAOYSA-N
MW306.42 g/mol
LogP4.03
Rot. Bonds8

About tripropylsilyl trifluoromethanesulfonate

tripropylsilyl trifluoromethanesulfonate (PubChem CID 22728496) has the molecular formula C10H21F3O3SSi and a molecular weight of 306.42 g/mol. Its IUPAC name is tripropylsilyl trifluoromethanesulfonate.

Molecular Properties

Compound Nametripropylsilyl trifluoromethanesulfonate
PubChem CID22728496
Molecular FormulaC10H21F3O3SSi
Molecular Weight306.42 g/mol
Exact Mass306.09
IUPAC Nametripropylsilyl trifluoromethanesulfonate
SMILESCCC[Si](CCC)(CCC)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3O3SSi/c1-4-7-18(8-5-2,9-6-3)16-17(14,15)10(11,12)13/h4-9H2,1-3H3
InChIKeyYVXGFRYOIRBVJP-UHFFFAOYSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripropylsilyl trifluoromethanesulfonate?
The IUPAC name of tripropylsilyl trifluoromethanesulfonate (CID 22728496) is tripropylsilyl trifluoromethanesulfonate.
What is the SMILES notation for tripropylsilyl trifluoromethanesulfonate?
The canonical SMILES for tripropylsilyl trifluoromethanesulfonate is CCC[Si](CCC)(CCC)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of tripropylsilyl trifluoromethanesulfonate?
The InChIKey is YVXGFRYOIRBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3O3SSi/c1-4-7-18(8-5-2,9-6-3)16-17(14,15)10(11,12)13/h4-9H2,1-3H3.
What are the key properties of tripropylsilyl trifluoromethanesulfonate?
tripropylsilyl trifluoromethanesulfonate has a molecular weight of 306.42 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 22728496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).