[ethyl(dimethyl)silyl] propane-1-sulfonate

C7H18O3SSi — CID 21102941

IUPAC[ethyl(dimethyl)silyl] propane-1-sulfonate
SMILESCCCS(=O)(=O)O[Si](C)(C)CC
InChIInChI=1S/C7H18O3SSi/c1-5-7-11(8,9)10-12(3,4)6-2/h5-7H2,1-4H3
InChIKeyDNMVMDVMFUAORB-UHFFFAOYSA-N
MW210.37 g/mol
LogP1.97
Rot. Bonds5

About [ethyl(dimethyl)silyl] propane-1-sulfonate

[ethyl(dimethyl)silyl] propane-1-sulfonate (PubChem CID 21102941) has the molecular formula C7H18O3SSi and a molecular weight of 210.37 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl] propane-1-sulfonate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl] propane-1-sulfonate
PubChem CID21102941
Molecular FormulaC7H18O3SSi
Molecular Weight210.37 g/mol
Exact Mass210.07
IUPAC Name[ethyl(dimethyl)silyl] propane-1-sulfonate
SMILESCCCS(=O)(=O)O[Si](C)(C)CC
InChIInChI=1S/C7H18O3SSi/c1-5-7-11(8,9)10-12(3,4)6-2/h5-7H2,1-4H3
InChIKeyDNMVMDVMFUAORB-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl(dimethyl)silyl] propane-1-sulfonate?
The IUPAC name of [ethyl(dimethyl)silyl] propane-1-sulfonate (CID 21102941) is [ethyl(dimethyl)silyl] propane-1-sulfonate.
What is the SMILES notation for [ethyl(dimethyl)silyl] propane-1-sulfonate?
The canonical SMILES for [ethyl(dimethyl)silyl] propane-1-sulfonate is CCCS(=O)(=O)O[Si](C)(C)CC.
What is the InChIKey of [ethyl(dimethyl)silyl] propane-1-sulfonate?
The InChIKey is DNMVMDVMFUAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3SSi/c1-5-7-11(8,9)10-12(3,4)6-2/h5-7H2,1-4H3.
What are the key properties of [ethyl(dimethyl)silyl] propane-1-sulfonate?
[ethyl(dimethyl)silyl] propane-1-sulfonate has a molecular weight of 210.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl] propane-1-sulfonate is sourced from PubChem (CID 21102941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).