trimethylsilylmethyl benzenesulfonate

C10H16O3SSi — CID 23238373

IUPACtrimethylsilylmethyl benzenesulfonate
SMILESC[Si](C)(C)COS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H16O3SSi/c1-15(2,3)9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyXTKGLZBQHVKTJN-UHFFFAOYSA-N
MW244.39 g/mol
LogP2.27
Rot. Bonds4

About trimethylsilylmethyl benzenesulfonate

trimethylsilylmethyl benzenesulfonate (PubChem CID 23238373) has the molecular formula C10H16O3SSi and a molecular weight of 244.39 g/mol. Its IUPAC name is trimethylsilylmethyl benzenesulfonate.

Molecular Properties

Compound Nametrimethylsilylmethyl benzenesulfonate
PubChem CID23238373
Molecular FormulaC10H16O3SSi
Molecular Weight244.39 g/mol
Exact Mass244.06
IUPAC Nametrimethylsilylmethyl benzenesulfonate
SMILESC[Si](C)(C)COS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H16O3SSi/c1-15(2,3)9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyXTKGLZBQHVKTJN-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 52.27
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'}

Analyze trimethylsilylmethyl benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-trimethylsilylpropyl benzenesulfonate
CID 21102851
but-2-ynyl benzenesulfonate
CID 18915655
but-2-ynyl benzenesulfonate
CID 158855722
Hydroxymethyl benzenesulfonate--aluminium (1/1)
CID 57354388
2-bromoethyl benzenesulfonate
CID 3253796
CID 172684660
CID 172684660
[(2R)-oxiran-2-yl]methyl benzenesulfonate
CID 14419639
hexadecyl benzenesulfonate
CID 5238354
CID 161209831
CID 161209831
CID 157196428
CID 157196428
2-propan-2-yloxyethyl benzenesulfonate
CID 141202169
CID 159146829
CID 159146829

Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl benzenesulfonate?
The IUPAC name of trimethylsilylmethyl benzenesulfonate (CID 23238373) is trimethylsilylmethyl benzenesulfonate.
What is the SMILES notation for trimethylsilylmethyl benzenesulfonate?
The canonical SMILES for trimethylsilylmethyl benzenesulfonate is C[Si](C)(C)COS(=O)(=O)c1ccccc1.
What is the InChIKey of trimethylsilylmethyl benzenesulfonate?
The InChIKey is XTKGLZBQHVKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3SSi/c1-15(2,3)9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of trimethylsilylmethyl benzenesulfonate?
trimethylsilylmethyl benzenesulfonate has a molecular weight of 244.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl benzenesulfonate is sourced from PubChem (CID 23238373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).