[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate

C11H16O3SSi — CID 71386975

IUPAC[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C11H16O3SSi/c1-4-10-15(12,13)14-16(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKeyYNCCFNBHBPZQNY-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.63
Rot. Bonds5

About [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate

[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate (PubChem CID 71386975) has the molecular formula C11H16O3SSi and a molecular weight of 256.40 g/mol. Its IUPAC name is [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate
PubChem CID71386975
Molecular FormulaC11H16O3SSi
Molecular Weight256.40 g/mol
Exact Mass256.06
IUPAC Name[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C11H16O3SSi/c1-4-10-15(12,13)14-16(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3
InChIKeyYNCCFNBHBPZQNY-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate?
The IUPAC name of [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate (CID 71386975) is [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate.
What is the SMILES notation for [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate?
The canonical SMILES for [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate is C=CCS(=O)(=O)O[Si](C)(C)c1ccccc1.
What is the InChIKey of [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate?
The InChIKey is YNCCFNBHBPZQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3SSi/c1-4-10-15(12,13)14-16(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3.
What are the key properties of [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate?
[dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate has a molecular weight of 256.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(phenyl)silyl] prop-2-ene-1-sulfonate is sourced from PubChem (CID 71386975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).