3-dimethylsilylpropyl sulfite

C5H13O3SSi- — CID 123947552

IUPAC3-dimethylsilylpropyl sulfite
SMILESC[SiH](C)CCCOS(=O)[O-]
InChIInChI=1S/C5H14O3SSi/c1-10(2)5-3-4-8-9(6)7/h10H,3-5H2,1-2H3,(H,6,7)/p-1
InChIKeyHXGDJYGEARKNOZ-UHFFFAOYSA-M
MW181.31 g/mol
LogP0.67
Rot. Bonds5

About 3-dimethylsilylpropyl sulfite

3-dimethylsilylpropyl sulfite (PubChem CID 123947552) has the molecular formula C5H13O3SSi- and a molecular weight of 181.31 g/mol. Its IUPAC name is 3-dimethylsilylpropyl sulfite.

Molecular Properties

Compound Name3-dimethylsilylpropyl sulfite
PubChem CID123947552
Molecular FormulaC5H13O3SSi-
Molecular Weight181.31 g/mol
Exact Mass181.04
IUPAC Name3-dimethylsilylpropyl sulfite
SMILESC[SiH](C)CCCOS(=O)[O-]
InChIInChI=1S/C5H14O3SSi/c1-10(2)5-3-4-8-9(6)7/h10H,3-5H2,1-2H3,(H,6,7)/p-1
InChIKeyHXGDJYGEARKNOZ-UHFFFAOYSA-M
XLogP0.67
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-dimethylsilylpropyl sulfite?
The IUPAC name of 3-dimethylsilylpropyl sulfite (CID 123947552) is 3-dimethylsilylpropyl sulfite.
What is the SMILES notation for 3-dimethylsilylpropyl sulfite?
The canonical SMILES for 3-dimethylsilylpropyl sulfite is C[SiH](C)CCCOS(=O)[O-].
What is the InChIKey of 3-dimethylsilylpropyl sulfite?
The InChIKey is HXGDJYGEARKNOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14O3SSi/c1-10(2)5-3-4-8-9(6)7/h10H,3-5H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 3-dimethylsilylpropyl sulfite?
3-dimethylsilylpropyl sulfite has a molecular weight of 181.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylsilylpropyl sulfite is sourced from PubChem (CID 123947552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).