trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane

C9H22OSSi — CID 552614

IUPACtrimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane
SMILESCC(C)SCOCC[Si](C)(C)C
InChIInChI=1S/C9H22OSSi/c1-9(2)11-8-10-6-7-12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyXSJLDAXFWUTOCR-UHFFFAOYSA-N
MW206.43 g/mol
LogP3.44
Rot. Bonds6

About trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane

trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane (PubChem CID 552614) has the molecular formula C9H22OSSi and a molecular weight of 206.43 g/mol. Its IUPAC name is trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane
PubChem CID552614
Molecular FormulaC9H22OSSi
Molecular Weight206.43 g/mol
Exact Mass206.12
IUPAC Nametrimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane
SMILESCC(C)SCOCC[Si](C)(C)C
InChIInChI=1S/C9H22OSSi/c1-9(2)11-8-10-6-7-12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyXSJLDAXFWUTOCR-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane 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 trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane?
The IUPAC name of trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane (CID 552614) is trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane.
What is the SMILES notation for trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane?
The canonical SMILES for trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane is CC(C)SCOCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane?
The InChIKey is XSJLDAXFWUTOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSSi/c1-9(2)11-8-10-6-7-12(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane?
trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane has a molecular weight of 206.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(propan-2-ylsulfanylmethoxy)ethyl]silane is sourced from PubChem (CID 552614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).