2-methylbutan-2-ylsilyl propane-1-sulfonate

C8H20O3SSi — CID 173057660

IUPAC2-methylbutan-2-ylsilyl propane-1-sulfonate
SMILESCCCS(=O)(=O)O[SiH2]C(C)(C)CC
InChIInChI=1S/C8H20O3SSi/c1-5-7-12(9,10)11-13-8(3,4)6-2/h5-7,13H2,1-4H3
InChIKeyBORATSFOSYJXDD-UHFFFAOYSA-N
MW224.40 g/mol
LogP1.44
Rot. Bonds6

About 2-methylbutan-2-ylsilyl propane-1-sulfonate

2-methylbutan-2-ylsilyl propane-1-sulfonate (PubChem CID 173057660) has the molecular formula C8H20O3SSi and a molecular weight of 224.40 g/mol. Its IUPAC name is 2-methylbutan-2-ylsilyl propane-1-sulfonate.

Molecular Properties

Compound Name2-methylbutan-2-ylsilyl propane-1-sulfonate
PubChem CID173057660
Molecular FormulaC8H20O3SSi
Molecular Weight224.40 g/mol
Exact Mass224.09
IUPAC Name2-methylbutan-2-ylsilyl propane-1-sulfonate
SMILESCCCS(=O)(=O)O[SiH2]C(C)(C)CC
InChIInChI=1S/C8H20O3SSi/c1-5-7-12(9,10)11-13-8(3,4)6-2/h5-7,13H2,1-4H3
InChIKeyBORATSFOSYJXDD-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylbutan-2-ylsilyl propane-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

2-methylnonan-2-ylsilyl propane-1-sulfonate
CID 173057671
2-methylbutan-2-ylsilyl trifluoromethanesulfonate
CID 175025137
ethoxy(2-methylbutan-2-yl)silane
CID 123886977
2-methylpentan-2-ylsilyl methanesulfonate
CID 174845745
propylsulfonyl propane-1-sulfonate
CID 11031687
2,2,2-trifluoroethyl propane-1-sulfonate
CID 174232866
propylsulfonyl formate
CID 87151772
sulfinooxy propane-1-sulfonate
CID 91013751
acetic acid;propylsulfonyl propane-1-sulfonate
CID 146345923
2-[2-[2-(2-propylsulfonyloxyethoxy)ethoxy]ethoxy]ethyl propane-1-sulfonate
CID 150811403
hydroxy-oxo-propylsulfonyloxyphosphanium
CID 174575206
sodium;hydride;trimethylsilyl propane-1-sulfonate
CID 173422421

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ylsilyl propane-1-sulfonate?
The IUPAC name of 2-methylbutan-2-ylsilyl propane-1-sulfonate (CID 173057660) is 2-methylbutan-2-ylsilyl propane-1-sulfonate.
What is the SMILES notation for 2-methylbutan-2-ylsilyl propane-1-sulfonate?
The canonical SMILES for 2-methylbutan-2-ylsilyl propane-1-sulfonate is CCCS(=O)(=O)O[SiH2]C(C)(C)CC.
What is the InChIKey of 2-methylbutan-2-ylsilyl propane-1-sulfonate?
The InChIKey is BORATSFOSYJXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3SSi/c1-5-7-12(9,10)11-13-8(3,4)6-2/h5-7,13H2,1-4H3.
What are the key properties of 2-methylbutan-2-ylsilyl propane-1-sulfonate?
2-methylbutan-2-ylsilyl propane-1-sulfonate has a molecular weight of 224.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ylsilyl propane-1-sulfonate is sourced from PubChem (CID 173057660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).