[di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate

C10H23F3O4SSi2 — CID 123615892

IUPAC[di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate
SMILESCC(C)[SiH2]O[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C10H23F3O4SSi2/c1-7(2)19-17-20(8(3)4,9(5)6)16-18(14,15)10(11,12)13/h7-9H,19H2,1-6H3
InChIKeyYKPXTKHWRZKXEP-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.04
Rot. Bonds7

About [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate

[di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate (PubChem CID 123615892) has the molecular formula C10H23F3O4SSi2 and a molecular weight of 352.52 g/mol. Its IUPAC name is [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate
PubChem CID123615892
Molecular FormulaC10H23F3O4SSi2
Molecular Weight352.52 g/mol
Exact Mass352.08
IUPAC Name[di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate
SMILESCC(C)[SiH2]O[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C10H23F3O4SSi2/c1-7(2)19-17-20(8(3)4,9(5)6)16-18(14,15)10(11,12)13/h7-9H,19H2,1-6H3
InChIKeyYKPXTKHWRZKXEP-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl trifluoromethanesulfonate
CID 10877967
[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate
CID 10266340
[ethenyl(dimethyl)silyl] trifluoromethanesulfonate
CID 53466158
bis(trimethylsilyl)methyl trifluoromethanesulfonate
CID 87370249
2-methylpropyl trifluoromethanesulfonate
CID 639197
(methyldisulfanyl)methane;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 23649989
1-[tert-butyl(dimethyl)silyl]ethyl trifluoromethanesulfonate
CID 175376461
[(2R)-3-oxobutan-2-yl] trifluoromethanesulfonate
CID 58280565
silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate
CID 159157127
methyl trifluoromethanesulfonate;silver
CID 174859792
copper;methyl trifluoromethanesulfonate
CID 174775711
1-(trifluoromethylsulfonyl)ethanol
CID 126732557

Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate?
The IUPAC name of [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate (CID 123615892) is [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate.
What is the SMILES notation for [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate?
The canonical SMILES for [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate is CC(C)[SiH2]O[Si](OS(=O)(=O)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate?
The InChIKey is YKPXTKHWRZKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23F3O4SSi2/c1-7(2)19-17-20(8(3)4,9(5)6)16-18(14,15)10(11,12)13/h7-9H,19H2,1-6H3.
What are the key properties of [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate?
[di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate has a molecular weight of 352.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)-propan-2-ylsilyloxysilyl] trifluoromethanesulfonate is sourced from PubChem (CID 123615892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).