trimethylsilyl 3-bromopropane-1-sulfonate

C6H15BrO3SSi — CID 554689

IUPACtrimethylsilyl 3-bromopropane-1-sulfonate
SMILESC[Si](C)(C)OS(=O)(=O)CCCBr
InChIInChI=1S/C6H15BrO3SSi/c1-12(2,3)10-11(8,9)6-4-5-7/h4-6H2,1-3H3
InChIKeyHDKKRGCWRXXSRN-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.95
Rot. Bonds5

About trimethylsilyl 3-bromopropane-1-sulfonate

trimethylsilyl 3-bromopropane-1-sulfonate (PubChem CID 554689) has the molecular formula C6H15BrO3SSi and a molecular weight of 275.24 g/mol. Its IUPAC name is trimethylsilyl 3-bromopropane-1-sulfonate.

Molecular Properties

Compound Nametrimethylsilyl 3-bromopropane-1-sulfonate
PubChem CID554689
Molecular FormulaC6H15BrO3SSi
Molecular Weight275.24 g/mol
Exact Mass273.97
IUPAC Nametrimethylsilyl 3-bromopropane-1-sulfonate
SMILESC[Si](C)(C)OS(=O)(=O)CCCBr
InChIInChI=1S/C6H15BrO3SSi/c1-12(2,3)10-11(8,9)6-4-5-7/h4-6H2,1-3H3
InChIKeyHDKKRGCWRXXSRN-UHFFFAOYSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-bromopropane-1-sulfonate?
The IUPAC name of trimethylsilyl 3-bromopropane-1-sulfonate (CID 554689) is trimethylsilyl 3-bromopropane-1-sulfonate.
What is the SMILES notation for trimethylsilyl 3-bromopropane-1-sulfonate?
The canonical SMILES for trimethylsilyl 3-bromopropane-1-sulfonate is C[Si](C)(C)OS(=O)(=O)CCCBr.
What is the InChIKey of trimethylsilyl 3-bromopropane-1-sulfonate?
The InChIKey is HDKKRGCWRXXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrO3SSi/c1-12(2,3)10-11(8,9)6-4-5-7/h4-6H2,1-3H3.
What are the key properties of trimethylsilyl 3-bromopropane-1-sulfonate?
trimethylsilyl 3-bromopropane-1-sulfonate has a molecular weight of 275.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-bromopropane-1-sulfonate is sourced from PubChem (CID 554689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).