[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate

C8H15F3O4SSi — CID 10266340

IUPAC[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate
SMILESC=C(O[Si](C)(C)OS(=O)(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H15F3O4SSi/c1-6(2)7(3)14-17(4,5)15-16(12,13)8(9,10)11/h6H,3H2,1-2,4-5H3
InChIKeyBXFMJCWYODWKEL-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.74
Rot. Bonds5

About [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate

[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate (PubChem CID 10266340) has the molecular formula C8H15F3O4SSi and a molecular weight of 292.35 g/mol. Its IUPAC name is [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate
PubChem CID10266340
Molecular FormulaC8H15F3O4SSi
Molecular Weight292.35 g/mol
Exact Mass292.04
IUPAC Name[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate
SMILESC=C(O[Si](C)(C)OS(=O)(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H15F3O4SSi/c1-6(2)7(3)14-17(4,5)15-16(12,13)8(9,10)11/h6H,3H2,1-2,4-5H3
InChIKeyBXFMJCWYODWKEL-UHFFFAOYSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate?
The IUPAC name of [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate (CID 10266340) is [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate.
What is the SMILES notation for [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate?
The canonical SMILES for [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate is C=C(O[Si](C)(C)OS(=O)(=O)C(F)(F)F)C(C)C.
What is the InChIKey of [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate?
The InChIKey is BXFMJCWYODWKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O4SSi/c1-6(2)7(3)14-17(4,5)15-16(12,13)8(9,10)11/h6H,3H2,1-2,4-5H3.
What are the key properties of [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate?
[dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate has a molecular weight of 292.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3-methylbut-1-en-2-yloxy)silyl] trifluoromethanesulfonate is sourced from PubChem (CID 10266340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).