[butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate

C11H23F3O3SSi — CID 58817288

IUPAC[butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate
SMILESCCCC[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H23F3O3SSi/c1-6-7-8-19(9(2)3,10(4)5)17-18(15,16)11(12,13)14/h9-10H,6-8H2,1-5H3
InChIKeyOOEOFIBHCKIQKQ-UHFFFAOYSA-N
MW320.45 g/mol
LogP4.42
Rot. Bonds7

About [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate

[butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate (PubChem CID 58817288) has the molecular formula C11H23F3O3SSi and a molecular weight of 320.45 g/mol. Its IUPAC name is [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate
PubChem CID58817288
Molecular FormulaC11H23F3O3SSi
Molecular Weight320.45 g/mol
Exact Mass320.11
IUPAC Name[butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate
SMILESCCCC[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C11H23F3O3SSi/c1-6-7-8-19(9(2)3,10(4)5)17-18(15,16)11(12,13)14/h9-10H,6-8H2,1-5H3
InChIKeyOOEOFIBHCKIQKQ-UHFFFAOYSA-N
XLogP4.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 54.42
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 [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate?
The IUPAC name of [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate (CID 58817288) is [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate.
What is the SMILES notation for [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate?
The canonical SMILES for [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate is CCCC[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate?
The InChIKey is OOEOFIBHCKIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3O3SSi/c1-6-7-8-19(9(2)3,10(4)5)17-18(15,16)11(12,13)14/h9-10H,6-8H2,1-5H3.
What are the key properties of [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate?
[butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate has a molecular weight of 320.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-di(propan-2-yl)silyl] trifluoromethanesulfonate is sourced from PubChem (CID 58817288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).