[dimethyl(propyl)silyl]methyl sulfite

C6H15O3SSi- — CID 90890592

IUPAC[dimethyl(propyl)silyl]methyl sulfite
SMILESCCC[Si](C)(C)COS(=O)[O-]
InChIInChI=1S/C6H16O3SSi/c1-4-5-11(2,3)6-9-10(7)8/h4-6H2,1-3H3,(H,7,8)/p-1
InChIKeyCWNIRCFQLSYWQK-UHFFFAOYSA-M
MW195.34 g/mol
LogP1.45
Rot. Bonds5

About [dimethyl(propyl)silyl]methyl sulfite

[dimethyl(propyl)silyl]methyl sulfite (PubChem CID 90890592) has the molecular formula C6H15O3SSi- and a molecular weight of 195.34 g/mol. Its IUPAC name is [dimethyl(propyl)silyl]methyl sulfite.

Molecular Properties

Compound Name[dimethyl(propyl)silyl]methyl sulfite
PubChem CID90890592
Molecular FormulaC6H15O3SSi-
Molecular Weight195.34 g/mol
Exact Mass195.05
IUPAC Name[dimethyl(propyl)silyl]methyl sulfite
SMILESCCC[Si](C)(C)COS(=O)[O-]
InChIInChI=1S/C6H16O3SSi/c1-4-5-11(2,3)6-9-10(7)8/h4-6H2,1-3H3,(H,7,8)/p-1
InChIKeyCWNIRCFQLSYWQK-UHFFFAOYSA-M
XLogP1.45
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 51.45
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 [dimethyl(propyl)silyl]methyl sulfite?
The IUPAC name of [dimethyl(propyl)silyl]methyl sulfite (CID 90890592) is [dimethyl(propyl)silyl]methyl sulfite.
What is the SMILES notation for [dimethyl(propyl)silyl]methyl sulfite?
The canonical SMILES for [dimethyl(propyl)silyl]methyl sulfite is CCC[Si](C)(C)COS(=O)[O-].
What is the InChIKey of [dimethyl(propyl)silyl]methyl sulfite?
The InChIKey is CWNIRCFQLSYWQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16O3SSi/c1-4-5-11(2,3)6-9-10(7)8/h4-6H2,1-3H3,(H,7,8)/p-1.
What are the key properties of [dimethyl(propyl)silyl]methyl sulfite?
[dimethyl(propyl)silyl]methyl sulfite has a molecular weight of 195.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propyl)silyl]methyl sulfite is sourced from PubChem (CID 90890592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).