2-trimethylsilylethyl sulfite

C5H13O3SSi- — CID 89405216

IUPAC2-trimethylsilylethyl sulfite
SMILESC[Si](C)(C)CCOS(=O)[O-]
InChIInChI=1S/C5H14O3SSi/c1-10(2,3)5-4-8-9(6)7/h4-5H2,1-3H3,(H,6,7)/p-1
InChIKeyFMANRDMLOOKXLW-UHFFFAOYSA-M
MW181.31 g/mol
LogP1.14
Rot. Bonds4

About 2-trimethylsilylethyl sulfite

2-trimethylsilylethyl sulfite (PubChem CID 89405216) has the molecular formula C5H13O3SSi- and a molecular weight of 181.31 g/mol. Its IUPAC name is 2-trimethylsilylethyl sulfite.

Molecular Properties

Compound Name2-trimethylsilylethyl sulfite
PubChem CID89405216
Molecular FormulaC5H13O3SSi-
Molecular Weight181.31 g/mol
Exact Mass181.04
IUPAC Name2-trimethylsilylethyl sulfite
SMILESC[Si](C)(C)CCOS(=O)[O-]
InChIInChI=1S/C5H14O3SSi/c1-10(2,3)5-4-8-9(6)7/h4-5H2,1-3H3,(H,6,7)/p-1
InChIKeyFMANRDMLOOKXLW-UHFFFAOYSA-M
XLogP1.14
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl sulfite?
The IUPAC name of 2-trimethylsilylethyl sulfite (CID 89405216) is 2-trimethylsilylethyl sulfite.
What is the SMILES notation for 2-trimethylsilylethyl sulfite?
The canonical SMILES for 2-trimethylsilylethyl sulfite is C[Si](C)(C)CCOS(=O)[O-].
What is the InChIKey of 2-trimethylsilylethyl sulfite?
The InChIKey is FMANRDMLOOKXLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14O3SSi/c1-10(2,3)5-4-8-9(6)7/h4-5H2,1-3H3,(H,6,7)/p-1.
What are the key properties of 2-trimethylsilylethyl sulfite?
2-trimethylsilylethyl sulfite has a molecular weight of 181.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl sulfite is sourced from PubChem (CID 89405216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).