[ethenyl(methyl)silyl]methyl propane-2-sulfonate

C7H16O3SSi — CID 165062305

IUPAC[ethenyl(methyl)silyl]methyl propane-2-sulfonate
SMILESC=C[SiH](C)COS(=O)(=O)C(C)C
InChIInChI=1S/C7H16O3SSi/c1-5-12(4)6-10-11(8,9)7(2)3/h5,7,12H,1,6H2,2-4H3
InChIKeySMYXNCXMFZOKJE-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.86
Rot. Bonds5

About [ethenyl(methyl)silyl]methyl propane-2-sulfonate

[ethenyl(methyl)silyl]methyl propane-2-sulfonate (PubChem CID 165062305) has the molecular formula C7H16O3SSi and a molecular weight of 208.35 g/mol. Its IUPAC name is [ethenyl(methyl)silyl]methyl propane-2-sulfonate.

Molecular Properties

Compound Name[ethenyl(methyl)silyl]methyl propane-2-sulfonate
PubChem CID165062305
Molecular FormulaC7H16O3SSi
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name[ethenyl(methyl)silyl]methyl propane-2-sulfonate
SMILESC=C[SiH](C)COS(=O)(=O)C(C)C
InChIInChI=1S/C7H16O3SSi/c1-5-12(4)6-10-11(8,9)7(2)3/h5,7,12H,1,6H2,2-4H3
InChIKeySMYXNCXMFZOKJE-UHFFFAOYSA-N
XLogP0.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethenyl(methyl)silyl]methyl propane-2-sulfonate?
The IUPAC name of [ethenyl(methyl)silyl]methyl propane-2-sulfonate (CID 165062305) is [ethenyl(methyl)silyl]methyl propane-2-sulfonate.
What is the SMILES notation for [ethenyl(methyl)silyl]methyl propane-2-sulfonate?
The canonical SMILES for [ethenyl(methyl)silyl]methyl propane-2-sulfonate is C=C[SiH](C)COS(=O)(=O)C(C)C.
What is the InChIKey of [ethenyl(methyl)silyl]methyl propane-2-sulfonate?
The InChIKey is SMYXNCXMFZOKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3SSi/c1-5-12(4)6-10-11(8,9)7(2)3/h5,7,12H,1,6H2,2-4H3.
What are the key properties of [ethenyl(methyl)silyl]methyl propane-2-sulfonate?
[ethenyl(methyl)silyl]methyl propane-2-sulfonate has a molecular weight of 208.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(methyl)silyl]methyl propane-2-sulfonate is sourced from PubChem (CID 165062305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).