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

C8H20O3SSi — CID 91419069

IUPAC[ethyl(dimethyl)silyl] butane-1-sulfonate
SMILESCCCCS(=O)(=O)O[Si](C)(C)CC
InChIInChI=1S/C8H20O3SSi/c1-5-7-8-12(9,10)11-13(3,4)6-2/h5-8H2,1-4H3
InChIKeyNWVYBFSRPZWSEE-UHFFFAOYSA-N
MW224.40 g/mol
LogP2.36
Rot. Bonds6

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

[ethyl(dimethyl)silyl] butane-1-sulfonate (PubChem CID 91419069) has the molecular formula C8H20O3SSi and a molecular weight of 224.40 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl] butane-1-sulfonate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl] butane-1-sulfonate
PubChem CID91419069
Molecular FormulaC8H20O3SSi
Molecular Weight224.40 g/mol
Exact Mass224.09
IUPAC Name[ethyl(dimethyl)silyl] butane-1-sulfonate
SMILESCCCCS(=O)(=O)O[Si](C)(C)CC
InChIInChI=1S/C8H20O3SSi/c1-5-7-8-12(9,10)11-13(3,4)6-2/h5-8H2,1-4H3
InChIKeyNWVYBFSRPZWSEE-UHFFFAOYSA-N
XLogP2.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [ethyl(dimethyl)silyl] butane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dimethyl(octyl)silyl] butane-1-sulfonate
CID 90964254
[fluorosulfonyloxy(dimethyl)silyl]ethane
CID 175169289
propyl butane-1-sulfonate
CID 12843900
ethyl dodecane-1-sulfonate
CID 91372072
calcium;fluoro butane-1-sulfonate;hydride
CID 175424220
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372
sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421
lithium butylsulfonylazanide
CID 141349237
4-butylsulfonyloxybut-2-enyl butane-1-sulfonate
CID 134583948
tri(propan-2-yl)silyl propane-1-sulfonate
CID 21103012
trifluoromethyl butane-1-sulfonate
CID 87163996

Frequently Asked Questions

What is the IUPAC name of [ethyl(dimethyl)silyl] butane-1-sulfonate?
The IUPAC name of [ethyl(dimethyl)silyl] butane-1-sulfonate (CID 91419069) is [ethyl(dimethyl)silyl] butane-1-sulfonate.
What is the SMILES notation for [ethyl(dimethyl)silyl] butane-1-sulfonate?
The canonical SMILES for [ethyl(dimethyl)silyl] butane-1-sulfonate is CCCCS(=O)(=O)O[Si](C)(C)CC.
What is the InChIKey of [ethyl(dimethyl)silyl] butane-1-sulfonate?
The InChIKey is NWVYBFSRPZWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3SSi/c1-5-7-8-12(9,10)11-13(3,4)6-2/h5-8H2,1-4H3.
What are the key properties of [ethyl(dimethyl)silyl] butane-1-sulfonate?
[ethyl(dimethyl)silyl] butane-1-sulfonate has a molecular weight of 224.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl] butane-1-sulfonate is sourced from PubChem (CID 91419069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).