methyl 3-methyl-1-silylbutane-1-sulfonate

C6H16O3SSi — CID 174876146

IUPACmethyl 3-methyl-1-silylbutane-1-sulfonate
SMILESCOS(=O)(=O)C([SiH3])CC(C)C
InChIInChI=1S/C6H16O3SSi/c1-5(2)4-6(11)10(7,8)9-3/h5-6H,4H2,1-3,11H3
InChIKeyQNWSQYGYUYLGMI-UHFFFAOYSA-N
MW196.34 g/mol
LogP-0.30
Rot. Bonds4

About methyl 3-methyl-1-silylbutane-1-sulfonate

methyl 3-methyl-1-silylbutane-1-sulfonate (PubChem CID 174876146) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is methyl 3-methyl-1-silylbutane-1-sulfonate.

Molecular Properties

Compound Namemethyl 3-methyl-1-silylbutane-1-sulfonate
PubChem CID174876146
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Namemethyl 3-methyl-1-silylbutane-1-sulfonate
SMILESCOS(=O)(=O)C([SiH3])CC(C)C
InChIInChI=1S/C6H16O3SSi/c1-5(2)4-6(11)10(7,8)9-3/h5-6H,4H2,1-3,11H3
InChIKeyQNWSQYGYUYLGMI-UHFFFAOYSA-N
XLogP-0.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 5-0.30
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'}

Analyze methyl 3-methyl-1-silylbutane-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-silylbutane-1-sulfonate?
The IUPAC name of methyl 3-methyl-1-silylbutane-1-sulfonate (CID 174876146) is methyl 3-methyl-1-silylbutane-1-sulfonate.
What is the SMILES notation for methyl 3-methyl-1-silylbutane-1-sulfonate?
The canonical SMILES for methyl 3-methyl-1-silylbutane-1-sulfonate is COS(=O)(=O)C([SiH3])CC(C)C.
What is the InChIKey of methyl 3-methyl-1-silylbutane-1-sulfonate?
The InChIKey is QNWSQYGYUYLGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-5(2)4-6(11)10(7,8)9-3/h5-6H,4H2,1-3,11H3.
What are the key properties of methyl 3-methyl-1-silylbutane-1-sulfonate?
methyl 3-methyl-1-silylbutane-1-sulfonate has a molecular weight of 196.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-silylbutane-1-sulfonate is sourced from PubChem (CID 174876146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).