2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate

C9H19F3O4SSi — CID 15678107

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H19F3O4SSi/c1-8(2,3)18(4,5)16-7-6-15-17(13,14)9(10,11)12/h6-7H2,1-5H3
InChIKeyDUUWFQBUGWHIMO-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.87
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate

2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate (PubChem CID 15678107) has the molecular formula C9H19F3O4SSi and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate
PubChem CID15678107
Molecular FormulaC9H19F3O4SSi
Molecular Weight308.39 g/mol
Exact Mass308.07
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H19F3O4SSi/c1-8(2,3)18(4,5)16-7-6-15-17(13,14)9(10,11)12/h6-7H2,1-5H3
InChIKeyDUUWFQBUGWHIMO-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate (CID 15678107) is 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate is CC(C)(C)[Si](C)(C)OCCOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate?
The InChIKey is DUUWFQBUGWHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3O4SSi/c1-8(2,3)18(4,5)16-7-6-15-17(13,14)9(10,11)12/h6-7H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate?
2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate has a molecular weight of 308.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethyl trifluoromethanesulfonate is sourced from PubChem (CID 15678107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).