2-methylbutan-2-ylsilyl trifluoromethanesulfonate

C6H13F3O3SSi — CID 175025137

IUPAC2-methylbutan-2-ylsilyl trifluoromethanesulfonate
SMILESCCC(C)(C)[SiH2]OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3O3SSi/c1-4-5(2,3)14-12-13(10,11)6(7,8)9/h4,14H2,1-3H3
InChIKeyIVJULBQNDVBNBL-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.54
Rot. Bonds4

About 2-methylbutan-2-ylsilyl trifluoromethanesulfonate

2-methylbutan-2-ylsilyl trifluoromethanesulfonate (PubChem CID 175025137) has the molecular formula C6H13F3O3SSi and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methylbutan-2-ylsilyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-methylbutan-2-ylsilyl trifluoromethanesulfonate
PubChem CID175025137
Molecular FormulaC6H13F3O3SSi
Molecular Weight250.31 g/mol
Exact Mass250.03
IUPAC Name2-methylbutan-2-ylsilyl trifluoromethanesulfonate
SMILESCCC(C)(C)[SiH2]OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3O3SSi/c1-4-5(2,3)14-12-13(10,11)6(7,8)9/h4,14H2,1-3H3
InChIKeyIVJULBQNDVBNBL-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.54
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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Related Compounds

2-methylbutan-2-ylsilyl propane-1-sulfonate
CID 173057660
(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
CID 123161149
2-methylpentan-2-ylsilyl methanesulfonate
CID 174845745
ethoxy(2-methylbutan-2-yl)silane
CID 123886977
methoxy trifluoromethanesulfonate
CID 87224753
[2-(hydroxyamino)-2-methylpropyl] trifluoromethanesulfonate
CID 139379245
(diethyl-λ3-iodanyl) trifluoromethanesulfonate
CID 168791229
(1,3-difluoro-2-methylpropan-2-yl) trifluoromethanesulfonate
CID 86615366
(2,3-difluoro-2,3-dimethylbutyl) trifluoromethanesulfonate
CID 139022830
2-fluorobutan-2-yl hydrogen sulfate
CID 87625275
tert-butyl trifluoromethanesulfonate;copper
CID 175096484
3-methyl-3-(trifluoromethylsulfonyl)pentane
CID 88539345

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ylsilyl trifluoromethanesulfonate?
The IUPAC name of 2-methylbutan-2-ylsilyl trifluoromethanesulfonate (CID 175025137) is 2-methylbutan-2-ylsilyl trifluoromethanesulfonate.
What is the SMILES notation for 2-methylbutan-2-ylsilyl trifluoromethanesulfonate?
The canonical SMILES for 2-methylbutan-2-ylsilyl trifluoromethanesulfonate is CCC(C)(C)[SiH2]OS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methylbutan-2-ylsilyl trifluoromethanesulfonate?
The InChIKey is IVJULBQNDVBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3O3SSi/c1-4-5(2,3)14-12-13(10,11)6(7,8)9/h4,14H2,1-3H3.
What are the key properties of 2-methylbutan-2-ylsilyl trifluoromethanesulfonate?
2-methylbutan-2-ylsilyl trifluoromethanesulfonate has a molecular weight of 250.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 175025137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).