ethyl trimethylsilyl sulfate

C5H14O4SSi — CID 131745806

IUPACethyl trimethylsilyl sulfate
SMILESCCOS(=O)(=O)O[Si](C)(C)C
InChIInChI=1S/C5H14O4SSi/c1-5-8-10(6,7)9-11(2,3)4/h5H2,1-4H3
InChIKeyYSDUZWIPUOSUPC-UHFFFAOYSA-N
MW198.32 g/mol
LogP1.12
Rot. Bonds4

About ethyl trimethylsilyl sulfate

ethyl trimethylsilyl sulfate (PubChem CID 131745806) has the molecular formula C5H14O4SSi and a molecular weight of 198.32 g/mol. Its IUPAC name is ethyl trimethylsilyl sulfate.

Molecular Properties

Compound Nameethyl trimethylsilyl sulfate
PubChem CID131745806
Molecular FormulaC5H14O4SSi
Molecular Weight198.32 g/mol
Exact Mass198.04
IUPAC Nameethyl trimethylsilyl sulfate
SMILESCCOS(=O)(=O)O[Si](C)(C)C
InChIInChI=1S/C5H14O4SSi/c1-5-8-10(6,7)9-11(2,3)4/h5H2,1-4H3
InChIKeyYSDUZWIPUOSUPC-UHFFFAOYSA-N
XLogP1.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl trimethylsilyl sulfate?
The IUPAC name of ethyl trimethylsilyl sulfate (CID 131745806) is ethyl trimethylsilyl sulfate.
What is the SMILES notation for ethyl trimethylsilyl sulfate?
The canonical SMILES for ethyl trimethylsilyl sulfate is CCOS(=O)(=O)O[Si](C)(C)C.
What is the InChIKey of ethyl trimethylsilyl sulfate?
The InChIKey is YSDUZWIPUOSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O4SSi/c1-5-8-10(6,7)9-11(2,3)4/h5H2,1-4H3.
What are the key properties of ethyl trimethylsilyl sulfate?
ethyl trimethylsilyl sulfate has a molecular weight of 198.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl trimethylsilyl sulfate is sourced from PubChem (CID 131745806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).