triethoxysilylmethyl 2-methylpropane-2-sulfonate

C11H26O6SSi — CID 175076962

IUPACtriethoxysilylmethyl 2-methylpropane-2-sulfonate
SMILESCCO[Si](COS(=O)(=O)C(C)(C)C)(OCC)OCC
InChIInChI=1S/C11H26O6SSi/c1-7-15-19(16-8-2,17-9-3)10-14-18(12,13)11(4,5)6/h7-10H2,1-6H3
InChIKeyGBAWVKJRCLWNKI-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.72
Rot. Bonds9

About triethoxysilylmethyl 2-methylpropane-2-sulfonate

triethoxysilylmethyl 2-methylpropane-2-sulfonate (PubChem CID 175076962) has the molecular formula C11H26O6SSi and a molecular weight of 314.48 g/mol. Its IUPAC name is triethoxysilylmethyl 2-methylpropane-2-sulfonate.

Molecular Properties

Compound Nametriethoxysilylmethyl 2-methylpropane-2-sulfonate
PubChem CID175076962
Molecular FormulaC11H26O6SSi
Molecular Weight314.48 g/mol
Exact Mass314.12
IUPAC Nametriethoxysilylmethyl 2-methylpropane-2-sulfonate
SMILESCCO[Si](COS(=O)(=O)C(C)(C)C)(OCC)OCC
InChIInChI=1S/C11H26O6SSi/c1-7-15-19(16-8-2,17-9-3)10-14-18(12,13)11(4,5)6/h7-10H2,1-6H3
InChIKeyGBAWVKJRCLWNKI-UHFFFAOYSA-N
XLogP1.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze triethoxysilylmethyl 2-methylpropane-2-sulfonate 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

triethoxy(triethoxysilylmethoxymethyl)silane
CID 22616804
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
N-methyl-2-triethoxysilylethanesulfonamide
CID 174782490
methyl triethoxysilylmethyl carbonate
CID 139978043
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
triethoxy(2-methoxyethoxymethyl)silane
CID 139977978
CID 175369116
CID 175369116
1-triethoxysilylpropan-2-one
CID 174838810
dimethylphosphorylmethyl(triethoxy)silane
CID 141472362
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445
triethoxy-[3-[(2-methylpropan-2-yl)oxy]propyl]silane
CID 175020399
triethoxy(2,2,4-trimethylpentyl)silane
CID 21480871

Frequently Asked Questions

What is the IUPAC name of triethoxysilylmethyl 2-methylpropane-2-sulfonate?
The IUPAC name of triethoxysilylmethyl 2-methylpropane-2-sulfonate (CID 175076962) is triethoxysilylmethyl 2-methylpropane-2-sulfonate.
What is the SMILES notation for triethoxysilylmethyl 2-methylpropane-2-sulfonate?
The canonical SMILES for triethoxysilylmethyl 2-methylpropane-2-sulfonate is CCO[Si](COS(=O)(=O)C(C)(C)C)(OCC)OCC.
What is the InChIKey of triethoxysilylmethyl 2-methylpropane-2-sulfonate?
The InChIKey is GBAWVKJRCLWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6SSi/c1-7-15-19(16-8-2,17-9-3)10-14-18(12,13)11(4,5)6/h7-10H2,1-6H3.
What are the key properties of triethoxysilylmethyl 2-methylpropane-2-sulfonate?
triethoxysilylmethyl 2-methylpropane-2-sulfonate has a molecular weight of 314.48 g/mol, XLogP of 1.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilylmethyl 2-methylpropane-2-sulfonate is sourced from PubChem (CID 175076962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).