tributylsilyl hydrogen sulfate

C12H28O4SSi — CID 18317151

IUPACtributylsilyl hydrogen sulfate
SMILESCCCC[Si](CCCC)(CCCC)OS(=O)(=O)O
InChIInChI=1S/C12H28O4SSi/c1-4-7-10-18(11-8-5-2,12-9-6-3)16-17(13,14)15/h4-12H2,1-3H3,(H,13,14,15)
InChIKeyQHQBNSACNYRVAI-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.15
Rot. Bonds11

About tributylsilyl hydrogen sulfate

tributylsilyl hydrogen sulfate (PubChem CID 18317151) has the molecular formula C12H28O4SSi and a molecular weight of 296.50 g/mol. Its IUPAC name is tributylsilyl hydrogen sulfate.

Molecular Properties

Compound Nametributylsilyl hydrogen sulfate
PubChem CID18317151
Molecular FormulaC12H28O4SSi
Molecular Weight296.50 g/mol
Exact Mass296.15
IUPAC Nametributylsilyl hydrogen sulfate
SMILESCCCC[Si](CCCC)(CCCC)OS(=O)(=O)O
InChIInChI=1S/C12H28O4SSi/c1-4-7-10-18(11-8-5-2,12-9-6-3)16-17(13,14)15/h4-12H2,1-3H3,(H,13,14,15)
InChIKeyQHQBNSACNYRVAI-UHFFFAOYSA-N
XLogP4.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 tributylsilyl hydrogen sulfate?
The IUPAC name of tributylsilyl hydrogen sulfate (CID 18317151) is tributylsilyl hydrogen sulfate.
What is the SMILES notation for tributylsilyl hydrogen sulfate?
The canonical SMILES for tributylsilyl hydrogen sulfate is CCCC[Si](CCCC)(CCCC)OS(=O)(=O)O.
What is the InChIKey of tributylsilyl hydrogen sulfate?
The InChIKey is QHQBNSACNYRVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4SSi/c1-4-7-10-18(11-8-5-2,12-9-6-3)16-17(13,14)15/h4-12H2,1-3H3,(H,13,14,15).
What are the key properties of tributylsilyl hydrogen sulfate?
tributylsilyl hydrogen sulfate has a molecular weight of 296.50 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylsilyl hydrogen sulfate is sourced from PubChem (CID 18317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).