4-dimethylsilylbutyl sulfite

C6H15O3SSi- — CID 123590265

IUPAC4-dimethylsilylbutyl sulfite
SMILESC[SiH](C)CCCCOS(=O)[O-]
InChIInChI=1S/C6H16O3SSi/c1-11(2)6-4-3-5-9-10(7)8/h11H,3-6H2,1-2H3,(H,7,8)/p-1
InChIKeyLHZHKLBTJVAHNO-UHFFFAOYSA-M
MW195.34 g/mol
LogP1.06
Rot. Bonds6

About 4-dimethylsilylbutyl sulfite

4-dimethylsilylbutyl sulfite (PubChem CID 123590265) has the molecular formula C6H15O3SSi- and a molecular weight of 195.34 g/mol. Its IUPAC name is 4-dimethylsilylbutyl sulfite.

Molecular Properties

Compound Name4-dimethylsilylbutyl sulfite
PubChem CID123590265
Molecular FormulaC6H15O3SSi-
Molecular Weight195.34 g/mol
Exact Mass195.05
IUPAC Name4-dimethylsilylbutyl sulfite
SMILESC[SiH](C)CCCCOS(=O)[O-]
InChIInChI=1S/C6H16O3SSi/c1-11(2)6-4-3-5-9-10(7)8/h11H,3-6H2,1-2H3,(H,7,8)/p-1
InChIKeyLHZHKLBTJVAHNO-UHFFFAOYSA-M
XLogP1.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-dimethylsilylbutyl sulfite 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

5-aminopentyl sulfite
CID 57200749
methane;octyl sulfite
CID 159287523
potassium 3-fluoropropyl sulfite
CID 174672463
potassium;hydride;octyl sulfite
CID 174439661
lithium;dodecyl sulfite;hydride
CID 174417370
sodium;hex-5-enyl sulfite;hydride
CID 174851694
3-(methylamino)propyl sulfite
CID 57067037
potassium 3-chloropropyl sulfite
CID 174658395
4-(1-oxopropan-2-yloxy)butyl sulfite
CID 175026692
2-methoxyethyl sulfite
CID 54514151
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
sodium;acetonitrile;heptyl sulfite;hydride
CID 174796778

Frequently Asked Questions

What is the IUPAC name of 4-dimethylsilylbutyl sulfite?
The IUPAC name of 4-dimethylsilylbutyl sulfite (CID 123590265) is 4-dimethylsilylbutyl sulfite.
What is the SMILES notation for 4-dimethylsilylbutyl sulfite?
The canonical SMILES for 4-dimethylsilylbutyl sulfite is C[SiH](C)CCCCOS(=O)[O-].
What is the InChIKey of 4-dimethylsilylbutyl sulfite?
The InChIKey is LHZHKLBTJVAHNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16O3SSi/c1-11(2)6-4-3-5-9-10(7)8/h11H,3-6H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 4-dimethylsilylbutyl sulfite?
4-dimethylsilylbutyl sulfite has a molecular weight of 195.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylsilylbutyl sulfite is sourced from PubChem (CID 123590265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).