4-(2-trihydroxysilylethyl)benzenesulfonic acid

C8H12O6SSi — CID 10890738

IUPAC4-(2-trihydroxysilylethyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(CC[Si](O)(O)O)cc1
InChIInChI=1S/C8H12O6SSi/c9-15(10,11)8-3-1-7(2-4-8)5-6-16(12,13)14/h1-4,12-14H,5-6H2,(H,9,10,11)
InChIKeyFAAAJISQTSQWQA-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.61
Rot. Bonds4

About 4-(2-trihydroxysilylethyl)benzenesulfonic acid

4-(2-trihydroxysilylethyl)benzenesulfonic acid (PubChem CID 10890738) has the molecular formula C8H12O6SSi and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(2-trihydroxysilylethyl)benzenesulfonic acid.

Molecular Properties

Compound Name4-(2-trihydroxysilylethyl)benzenesulfonic acid
PubChem CID10890738
Molecular FormulaC8H12O6SSi
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC Name4-(2-trihydroxysilylethyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(CC[Si](O)(O)O)cc1
InChIInChI=1S/C8H12O6SSi/c9-15(10,11)8-3-1-7(2-4-8)5-6-16(12,13)14/h1-4,12-14H,5-6H2,(H,9,10,11)
InChIKeyFAAAJISQTSQWQA-UHFFFAOYSA-N
XLogP-0.61
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
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

4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonic acid;methoxy(trimethyl)silane
CID 157471412
4-ethylbenzenesulfonic acid
CID 144748480
4-(3,3,3-trifluoropropyl)benzenesulfonic acid
CID 22621208
4-(sulfanylmethyl)benzenesulfonic acid
CID 57264767
4-prop-2-enylbenzenesulfonic acid
CID 19098643
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
4-heptacosylbenzenesulfonic acid
CID 101306334
4-octatriacontylbenzenesulfonic acid
CID 101306527
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-(4-aminobutyl)benzenesulfonic acid;hydrochloride
CID 175392230
4-(9-aminononyl)benzenesulfonic acid
CID 57192247
4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 139432783

Frequently Asked Questions

What is the IUPAC name of 4-(2-trihydroxysilylethyl)benzenesulfonic acid?
The IUPAC name of 4-(2-trihydroxysilylethyl)benzenesulfonic acid (CID 10890738) is 4-(2-trihydroxysilylethyl)benzenesulfonic acid.
What is the SMILES notation for 4-(2-trihydroxysilylethyl)benzenesulfonic acid?
The canonical SMILES for 4-(2-trihydroxysilylethyl)benzenesulfonic acid is O=S(=O)(O)c1ccc(CC[Si](O)(O)O)cc1.
What is the InChIKey of 4-(2-trihydroxysilylethyl)benzenesulfonic acid?
The InChIKey is FAAAJISQTSQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6SSi/c9-15(10,11)8-3-1-7(2-4-8)5-6-16(12,13)14/h1-4,12-14H,5-6H2,(H,9,10,11).
What are the key properties of 4-(2-trihydroxysilylethyl)benzenesulfonic acid?
4-(2-trihydroxysilylethyl)benzenesulfonic acid has a molecular weight of 264.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trihydroxysilylethyl)benzenesulfonic acid is sourced from PubChem (CID 10890738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).