3-trimethylsilylpropyl hydrogen sulfite

C6H16O3SSi — CID 57052636

IUPAC3-trimethylsilylpropyl hydrogen sulfite
SMILESC[Si](C)(C)CCCOS(=O)O
InChIInChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-9-10(7)8/h4-6H2,1-3H3,(H,7,8)
InChIKeyGIXXJGGONUJKHQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.87
Rot. Bonds5

About 3-trimethylsilylpropyl hydrogen sulfite

3-trimethylsilylpropyl hydrogen sulfite (PubChem CID 57052636) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-trimethylsilylpropyl hydrogen sulfite.

Molecular Properties

Compound Name3-trimethylsilylpropyl hydrogen sulfite
PubChem CID57052636
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name3-trimethylsilylpropyl hydrogen sulfite
SMILESC[Si](C)(C)CCCOS(=O)O
InChIInChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-9-10(7)8/h4-6H2,1-3H3,(H,7,8)
InChIKeyGIXXJGGONUJKHQ-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-trimethylsilylpropyl hydrogen sulfite 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 3-trimethylsilylpropyl hydrogen sulfite?
The IUPAC name of 3-trimethylsilylpropyl hydrogen sulfite (CID 57052636) is 3-trimethylsilylpropyl hydrogen sulfite.
What is the SMILES notation for 3-trimethylsilylpropyl hydrogen sulfite?
The canonical SMILES for 3-trimethylsilylpropyl hydrogen sulfite is C[Si](C)(C)CCCOS(=O)O.
What is the InChIKey of 3-trimethylsilylpropyl hydrogen sulfite?
The InChIKey is GIXXJGGONUJKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-9-10(7)8/h4-6H2,1-3H3,(H,7,8).
What are the key properties of 3-trimethylsilylpropyl hydrogen sulfite?
3-trimethylsilylpropyl hydrogen sulfite has a molecular weight of 196.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpropyl hydrogen sulfite is sourced from PubChem (CID 57052636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).