3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid

C5H14O6SSi — CID 140958060

IUPAC3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid
SMILESCO[Si](O)(CCCS(=O)(=O)O)OC
InChIInChI=1S/C5H14O6SSi/c1-10-13(9,11-2)5-3-4-12(6,7)8/h9H,3-5H2,1-2H3,(H,6,7,8)
InChIKeyDQRHZPPVGLZAKY-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.51
Rot. Bonds6

About 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid

3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid (PubChem CID 140958060) has the molecular formula C5H14O6SSi and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid.

Molecular Properties

Compound Name3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid
PubChem CID140958060
Molecular FormulaC5H14O6SSi
Molecular Weight230.31 g/mol
Exact Mass230.03
IUPAC Name3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid
SMILESCO[Si](O)(CCCS(=O)(=O)O)OC
InChIInChI=1S/C5H14O6SSi/c1-10-13(9,11-2)5-3-4-12(6,7)8/h9H,3-5H2,1-2H3,(H,6,7,8)
InChIKeyDQRHZPPVGLZAKY-UHFFFAOYSA-N
XLogP-0.51
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
CID 161452925
3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
CID 46830547
sodium;hydride;3-trimethylsilylpropane-1-sulfonic acid;hydrate
CID 173008063
hydroxy-[3-[3-[hydroxy(dimethoxy)silyl]propyldisulfanyl]propyl]-dimethoxysilane
CID 140958062
octane-1,8-disulfonic acid
CID 18172926
CID 88853027
CID 88853027
pentane-1,5-disulfonic acid;hydrate
CID 133062445
butane-1,4-disulfonic acid;ethene
CID 173210763
4-tri(propan-2-yl)silylbutane-1-sulfonic acid
CID 90727897
8-methylperoxysulfonyloctane-1-sulfonic acid
CID 139442898
butane-1-sulfonic acid;sulfane
CID 174687882
CID 172853428
CID 172853428

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid?
The IUPAC name of 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid (CID 140958060) is 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid.
What is the SMILES notation for 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid?
The canonical SMILES for 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid is CO[Si](O)(CCCS(=O)(=O)O)OC.
What is the InChIKey of 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid?
The InChIKey is DQRHZPPVGLZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O6SSi/c1-10-13(9,11-2)5-3-4-12(6,7)8/h9H,3-5H2,1-2H3,(H,6,7,8).
What are the key properties of 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid?
3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid has a molecular weight of 230.31 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid is sourced from PubChem (CID 140958060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).