[dimethyl(propyl)silyl]methyl hydrogen sulfite

C6H16O3SSi — CID 90890593

IUPAC[dimethyl(propyl)silyl]methyl hydrogen 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)
InChIKeyCWNIRCFQLSYWQK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.80
Rot. Bonds5

About [dimethyl(propyl)silyl]methyl hydrogen sulfite

[dimethyl(propyl)silyl]methyl hydrogen sulfite (PubChem CID 90890593) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is [dimethyl(propyl)silyl]methyl hydrogen sulfite.

Molecular Properties

Compound Name[dimethyl(propyl)silyl]methyl hydrogen sulfite
PubChem CID90890593
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name[dimethyl(propyl)silyl]methyl hydrogen 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)
InChIKeyCWNIRCFQLSYWQK-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 hydrogen sulfite?
The IUPAC name of [dimethyl(propyl)silyl]methyl hydrogen sulfite (CID 90890593) is [dimethyl(propyl)silyl]methyl hydrogen sulfite.
What is the SMILES notation for [dimethyl(propyl)silyl]methyl hydrogen sulfite?
The canonical SMILES for [dimethyl(propyl)silyl]methyl hydrogen sulfite is CCC[Si](C)(C)COS(=O)O.
What is the InChIKey of [dimethyl(propyl)silyl]methyl hydrogen sulfite?
The InChIKey is CWNIRCFQLSYWQK-UHFFFAOYSA-N. 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).
What are the key properties of [dimethyl(propyl)silyl]methyl hydrogen sulfite?
[dimethyl(propyl)silyl]methyl hydrogen sulfite has a molecular weight of 196.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propyl)silyl]methyl hydrogen sulfite is sourced from PubChem (CID 90890593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).