4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid

C12H24N2O6SSi — CID 175116664

IUPAC4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid
SMILESCO[Si](CCC(CCCS(=O)(=O)O)n1ccnc1)(OC)OC
InChIInChI=1S/C12H24N2O6SSi/c1-18-22(19-2,20-3)10-6-12(14-8-7-13-11-14)5-4-9-21(15,16)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyHOLONEFOMLMTLH-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.36
Rot. Bonds11

About 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid

4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid (PubChem CID 175116664) has the molecular formula C12H24N2O6SSi and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid
PubChem CID175116664
Molecular FormulaC12H24N2O6SSi
Molecular Weight352.49 g/mol
Exact Mass352.11
IUPAC Name4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid
SMILESCO[Si](CCC(CCCS(=O)(=O)O)n1ccnc1)(OC)OC
InChIInChI=1S/C12H24N2O6SSi/c1-18-22(19-2,20-3)10-6-12(14-8-7-13-11-14)5-4-9-21(15,16)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyHOLONEFOMLMTLH-UHFFFAOYSA-N
XLogP1.36
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid?
The IUPAC name of 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid (CID 175116664) is 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid.
What is the SMILES notation for 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid?
The canonical SMILES for 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid is CO[Si](CCC(CCCS(=O)(=O)O)n1ccnc1)(OC)OC.
What is the InChIKey of 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid?
The InChIKey is HOLONEFOMLMTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6SSi/c1-18-22(19-2,20-3)10-6-12(14-8-7-13-11-14)5-4-9-21(15,16)17/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid?
4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid has a molecular weight of 352.49 g/mol, XLogP of 1.36, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-trimethoxysilylhexane-1-sulfonic acid is sourced from PubChem (CID 175116664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).