2-silyloxane-2-sulfinate

C5H11O3SSi- — CID 123267264

IUPAC2-silyloxane-2-sulfinate
SMILESO=S([O-])C1([SiH3])CCCCO1
InChIInChI=1S/C5H12O3SSi/c6-9(7)5(10)3-1-2-4-8-5/h1-4H2,10H3,(H,6,7)/p-1
InChIKeyYAVKVDJJUXXGCB-UHFFFAOYSA-M
MW179.29 g/mol
LogP-0.91
Rot. Bonds1

About 2-silyloxane-2-sulfinate

2-silyloxane-2-sulfinate (PubChem CID 123267264) has the molecular formula C5H11O3SSi- and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-silyloxane-2-sulfinate.

Molecular Properties

Compound Name2-silyloxane-2-sulfinate
PubChem CID123267264
Molecular FormulaC5H11O3SSi-
Molecular Weight179.29 g/mol
Exact Mass179.02
IUPAC Name2-silyloxane-2-sulfinate
SMILESO=S([O-])C1([SiH3])CCCCO1
InChIInChI=1S/C5H12O3SSi/c6-9(7)5(10)3-1-2-4-8-5/h1-4H2,10H3,(H,6,7)/p-1
InChIKeyYAVKVDJJUXXGCB-UHFFFAOYSA-M
XLogP-0.91
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 5-0.91
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'}

Analyze 2-silyloxane-2-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-silyloxane-2-sulfinate?
The IUPAC name of 2-silyloxane-2-sulfinate (CID 123267264) is 2-silyloxane-2-sulfinate.
What is the SMILES notation for 2-silyloxane-2-sulfinate?
The canonical SMILES for 2-silyloxane-2-sulfinate is O=S([O-])C1([SiH3])CCCCO1.
What is the InChIKey of 2-silyloxane-2-sulfinate?
The InChIKey is YAVKVDJJUXXGCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12O3SSi/c6-9(7)5(10)3-1-2-4-8-5/h1-4H2,10H3,(H,6,7)/p-1.
What are the key properties of 2-silyloxane-2-sulfinate?
2-silyloxane-2-sulfinate has a molecular weight of 179.29 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-silyloxane-2-sulfinate is sourced from PubChem (CID 123267264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).