methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid

C13H40O10SSi2 — CID 161452925

IUPACmethane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
SMILESC.C.C.CO[Si](CCCS(=O)(=O)O)(OC)OC.CO[Si](OC)(OC)OC
InChIInChI=1S/C6H16O6SSi.C4H12O4Si.3CH4/c1-10-14(11-2,12-3)6-4-5-13(7,8)9;1-5-9(6-2,7-3)8-4;;;/h4-6H2,1-3H3,(H,7,8,9);1-4H3;3*1H4
InChIKeyWATPYRCCMAQVQO-UHFFFAOYSA-N
MW444.69 g/mol
LogP2.06
Rot. Bonds11

About methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid

methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid (PubChem CID 161452925) has the molecular formula C13H40O10SSi2 and a molecular weight of 444.69 g/mol. Its IUPAC name is methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid.

Molecular Properties

Compound Namemethane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
PubChem CID161452925
Molecular FormulaC13H40O10SSi2
Molecular Weight444.69 g/mol
Exact Mass444.19
IUPAC Namemethane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
SMILESC.C.C.CO[Si](CCCS(=O)(=O)O)(OC)OC.CO[Si](OC)(OC)OC
InChIInChI=1S/C6H16O6SSi.C4H12O4Si.3CH4/c1-10-14(11-2,12-3)6-4-5-13(7,8)9;1-5-9(6-2,7-3)8-4;;;/h4-6H2,1-3H3,(H,7,8,9);1-4H3;3*1H4
InChIKeyWATPYRCCMAQVQO-UHFFFAOYSA-N
XLogP2.06
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
CID 46830547
3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid
CID 140958060
3-trimethoxysilylpropyl hydrogen sulfate
CID 89396321
3-(3-dimethoxysilylpropylsulfonyl)propyl-trimethoxysilane;methanol
CID 158382000
sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate
CID 173008063
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
octane-1,8-disulfonic acid
CID 18172926
CID 88853027
CID 88853027
4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid
CID 175116664
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
ethane-1,2-disulfonic acid;methane
CID 161397392
pentane-1,5-disulfonic acid;hydrate
CID 133062445

Frequently Asked Questions

What is the IUPAC name of methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid?
The IUPAC name of methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid (CID 161452925) is methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid.
What is the SMILES notation for methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid?
The canonical SMILES for methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid is C.C.C.CO[Si](CCCS(=O)(=O)O)(OC)OC.CO[Si](OC)(OC)OC.
What is the InChIKey of methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid?
The InChIKey is WATPYRCCMAQVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O6SSi.C4H12O4Si.3CH4/c1-10-14(11-2,12-3)6-4-5-13(7,8)9;1-5-9(6-2,7-3)8-4;;;/h4-6H2,1-3H3,(H,7,8,9);1-4H3;3*1H4.
What are the key properties of methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid?
methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid has a molecular weight of 444.69 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid is sourced from PubChem (CID 161452925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).