3-trimethylsilylpropane-1-sulfonate

C6H15O3SSi- — CID 4232364

IUPAC3-trimethylsilylpropane-1-sulfonate
SMILESC[Si](C)(C)CCCS(=O)(=O)[O-]
InChIInChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1
InChIKeyTVZRAEYQIKYCPH-UHFFFAOYSA-M
MW195.34 g/mol
LogP1.26
Rot. Bonds4

About 3-trimethylsilylpropane-1-sulfonate

3-trimethylsilylpropane-1-sulfonate (PubChem CID 4232364) has the molecular formula C6H15O3SSi- and a molecular weight of 195.34 g/mol. Its IUPAC name is 3-trimethylsilylpropane-1-sulfonate.

Molecular Properties

Compound Name3-trimethylsilylpropane-1-sulfonate
PubChem CID4232364
Molecular FormulaC6H15O3SSi-
Molecular Weight195.34 g/mol
Exact Mass195.05
IUPAC Name3-trimethylsilylpropane-1-sulfonate
SMILESC[Si](C)(C)CCCS(=O)(=O)[O-]
InChIInChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1
InChIKeyTVZRAEYQIKYCPH-UHFFFAOYSA-M
XLogP1.26
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpropane-1-sulfonate?
The IUPAC name of 3-trimethylsilylpropane-1-sulfonate (CID 4232364) is 3-trimethylsilylpropane-1-sulfonate.
What is the SMILES notation for 3-trimethylsilylpropane-1-sulfonate?
The canonical SMILES for 3-trimethylsilylpropane-1-sulfonate is C[Si](C)(C)CCCS(=O)(=O)[O-].
What is the InChIKey of 3-trimethylsilylpropane-1-sulfonate?
The InChIKey is TVZRAEYQIKYCPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1.
What are the key properties of 3-trimethylsilylpropane-1-sulfonate?
3-trimethylsilylpropane-1-sulfonate has a molecular weight of 195.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropane-1-sulfonate is sourced from PubChem (CID 4232364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).