2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid

C6H16O5SSi — CID 57078104

IUPAC2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid
SMILESCC[Si](OC)(OC)OCCS(=O)O
InChIInChI=1S/C6H16O5SSi/c1-4-13(9-2,10-3)11-5-6-12(7)8/h4-6H2,1-3H3,(H,7,8)
InChIKeyZWGYJDJNAWEQGP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds7

About 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid

2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid (PubChem CID 57078104) has the molecular formula C6H16O5SSi and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid.

Molecular Properties

Compound Name2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid
PubChem CID57078104
Molecular FormulaC6H16O5SSi
Molecular Weight228.34 g/mol
Exact Mass228.05
IUPAC Name2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid
SMILESCC[Si](OC)(OC)OCCS(=O)O
InChIInChI=1S/C6H16O5SSi/c1-4-13(9-2,10-3)11-5-6-12(7)8/h4-6H2,1-3H3,(H,7,8)
InChIKeyZWGYJDJNAWEQGP-UHFFFAOYSA-N
XLogP0.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid?
The IUPAC name of 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid (CID 57078104) is 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid.
What is the SMILES notation for 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid?
The canonical SMILES for 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid is CC[Si](OC)(OC)OCCS(=O)O.
What is the InChIKey of 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid?
The InChIKey is ZWGYJDJNAWEQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O5SSi/c1-4-13(9-2,10-3)11-5-6-12(7)8/h4-6H2,1-3H3,(H,7,8).
What are the key properties of 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid?
2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid has a molecular weight of 228.34 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(dimethoxy)silyl]oxyethanesulfinic acid is sourced from PubChem (CID 57078104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).