methyl 3-trimethylsilylpropyl sulfite

C7H18O3SSi — CID 176653349

IUPACmethyl 3-trimethylsilylpropyl sulfite
SMILESCOS(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C7H18O3SSi/c1-9-11(8)10-6-5-7-12(2,3)4/h5-7H2,1-4H3
InChIKeyPRPXEBZREZWIEL-UHFFFAOYSA-N
MW210.37 g/mol
LogP1.96
Rot. Bonds6

About methyl 3-trimethylsilylpropyl sulfite

methyl 3-trimethylsilylpropyl sulfite (PubChem CID 176653349) has the molecular formula C7H18O3SSi and a molecular weight of 210.37 g/mol. Its IUPAC name is methyl 3-trimethylsilylpropyl sulfite.

Molecular Properties

Compound Namemethyl 3-trimethylsilylpropyl sulfite
PubChem CID176653349
Molecular FormulaC7H18O3SSi
Molecular Weight210.37 g/mol
Exact Mass210.07
IUPAC Namemethyl 3-trimethylsilylpropyl sulfite
SMILESCOS(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C7H18O3SSi/c1-9-11(8)10-6-5-7-12(2,3)4/h5-7H2,1-4H3
InChIKeyPRPXEBZREZWIEL-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 51.96
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-trimethylsilylpropyl sulfite?
The IUPAC name of methyl 3-trimethylsilylpropyl sulfite (CID 176653349) is methyl 3-trimethylsilylpropyl sulfite.
What is the SMILES notation for methyl 3-trimethylsilylpropyl sulfite?
The canonical SMILES for methyl 3-trimethylsilylpropyl sulfite is COS(=O)OCCC[Si](C)(C)C.
What is the InChIKey of methyl 3-trimethylsilylpropyl sulfite?
The InChIKey is PRPXEBZREZWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3SSi/c1-9-11(8)10-6-5-7-12(2,3)4/h5-7H2,1-4H3.
What are the key properties of methyl 3-trimethylsilylpropyl sulfite?
methyl 3-trimethylsilylpropyl sulfite has a molecular weight of 210.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-trimethylsilylpropyl sulfite is sourced from PubChem (CID 176653349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).