[(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate

C8H15F3O3SSi — CID 101167966

IUPAC[(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate
SMILESC[Si](C)(C)/C=C/C(OS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H15F3O3SSi/c1-15(12,13)14-7(8(9,10)11)5-6-16(2,3)4/h5-7H,1-4H3/b6-5+
InChIKeyADXTVDVORVFLMN-AATRIKPKSA-N
MW276.35 g/mol
LogP2.33
Rot. Bonds4

About [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate

[(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate (PubChem CID 101167966) has the molecular formula C8H15F3O3SSi and a molecular weight of 276.35 g/mol. Its IUPAC name is [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate
PubChem CID101167966
Molecular FormulaC8H15F3O3SSi
Molecular Weight276.35 g/mol
Exact Mass276.05
IUPAC Name[(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate
SMILESC[Si](C)(C)/C=C/C(OS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H15F3O3SSi/c1-15(12,13)14-7(8(9,10)11)5-6-16(2,3)4/h5-7H,1-4H3/b6-5+
InChIKeyADXTVDVORVFLMN-AATRIKPKSA-N
XLogP2.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate?
The IUPAC name of [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate (CID 101167966) is [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate.
What is the SMILES notation for [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate?
The canonical SMILES for [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate is C[Si](C)(C)/C=C/C(OS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate?
The InChIKey is ADXTVDVORVFLMN-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15F3O3SSi/c1-15(12,13)14-7(8(9,10)11)5-6-16(2,3)4/h5-7H,1-4H3/b6-5+.
What are the key properties of [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate?
[(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate has a molecular weight of 276.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1,1-trifluoro-4-trimethylsilylbut-3-en-2-yl] methanesulfonate is sourced from PubChem (CID 101167966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).