trimethylsilyl prop-2-ene-1-sulfinate

C6H14O2SSi — CID 11355830

IUPACtrimethylsilyl prop-2-ene-1-sulfinate
SMILESC=CCS(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O2SSi/c1-5-6-9(7)8-10(2,3)4/h5H,1,6H2,2-4H3
InChIKeyBWJFKGSUPYXREA-UHFFFAOYSA-N
MW178.33 g/mol
LogP1.69
Rot. Bonds4

About trimethylsilyl prop-2-ene-1-sulfinate

trimethylsilyl prop-2-ene-1-sulfinate (PubChem CID 11355830) has the molecular formula C6H14O2SSi and a molecular weight of 178.33 g/mol. Its IUPAC name is trimethylsilyl prop-2-ene-1-sulfinate.

Molecular Properties

Compound Nametrimethylsilyl prop-2-ene-1-sulfinate
PubChem CID11355830
Molecular FormulaC6H14O2SSi
Molecular Weight178.33 g/mol
Exact Mass178.05
IUPAC Nametrimethylsilyl prop-2-ene-1-sulfinate
SMILESC=CCS(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O2SSi/c1-5-6-9(7)8-10(2,3)4/h5H,1,6H2,2-4H3
InChIKeyBWJFKGSUPYXREA-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl prop-2-ene-1-sulfinate?
The IUPAC name of trimethylsilyl prop-2-ene-1-sulfinate (CID 11355830) is trimethylsilyl prop-2-ene-1-sulfinate.
What is the SMILES notation for trimethylsilyl prop-2-ene-1-sulfinate?
The canonical SMILES for trimethylsilyl prop-2-ene-1-sulfinate is C=CCS(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl prop-2-ene-1-sulfinate?
The InChIKey is BWJFKGSUPYXREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2SSi/c1-5-6-9(7)8-10(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of trimethylsilyl prop-2-ene-1-sulfinate?
trimethylsilyl prop-2-ene-1-sulfinate has a molecular weight of 178.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl prop-2-ene-1-sulfinate is sourced from PubChem (CID 11355830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).