tri(propan-2-yl)silyl trifluoromethanesulfonate

C10H21F3O3SSi — CID 2724529

IUPACtri(propan-2-yl)silyl trifluoromethanesulfonate
SMILESCC(C)[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)16-17(14,15)10(11,12)13/h7-9H,1-6H3
InChIKeyLHJCZOXMCGQVDQ-UHFFFAOYSA-N
MW306.42 g/mol
LogP4.03
Rot. Bonds5

About tri(propan-2-yl)silyl trifluoromethanesulfonate

tri(propan-2-yl)silyl trifluoromethanesulfonate (PubChem CID 2724529) has the molecular formula C10H21F3O3SSi and a molecular weight of 306.42 g/mol. Its IUPAC name is tri(propan-2-yl)silyl trifluoromethanesulfonate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl trifluoromethanesulfonate
PubChem CID2724529
Molecular FormulaC10H21F3O3SSi
Molecular Weight306.42 g/mol
Exact Mass306.09
IUPAC Nametri(propan-2-yl)silyl trifluoromethanesulfonate
SMILESCC(C)[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)16-17(14,15)10(11,12)13/h7-9H,1-6H3
InChIKeyLHJCZOXMCGQVDQ-UHFFFAOYSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 tri(propan-2-yl)silyl trifluoromethanesulfonate?
The IUPAC name of tri(propan-2-yl)silyl trifluoromethanesulfonate (CID 2724529) is tri(propan-2-yl)silyl trifluoromethanesulfonate.
What is the SMILES notation for tri(propan-2-yl)silyl trifluoromethanesulfonate?
The canonical SMILES for tri(propan-2-yl)silyl trifluoromethanesulfonate is CC(C)[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl trifluoromethanesulfonate?
The InChIKey is LHJCZOXMCGQVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3O3SSi/c1-7(2)18(8(3)4,9(5)6)16-17(14,15)10(11,12)13/h7-9H,1-6H3.
What are the key properties of tri(propan-2-yl)silyl trifluoromethanesulfonate?
tri(propan-2-yl)silyl trifluoromethanesulfonate has a molecular weight of 306.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl trifluoromethanesulfonate is sourced from PubChem (CID 2724529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).