tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane

C12H28O3SSi — CID 5246420

IUPACtris[(2-methylpropan-2-yl)oxy]-sulfanylsilane
SMILESCC(C)(C)O[Si](S)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H28O3SSi/c1-10(2,3)13-17(16,14-11(4,5)6)15-12(7,8)9/h16H,1-9H3
InChIKeyZVUGYOCGLCLJAV-UHFFFAOYSA-N
MW280.51 g/mol
LogP3.80
Rot. Bonds3

About tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane

tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane (PubChem CID 5246420) has the molecular formula C12H28O3SSi and a molecular weight of 280.51 g/mol. Its IUPAC name is tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane.

Molecular Properties

Compound Nametris[(2-methylpropan-2-yl)oxy]-sulfanylsilane
PubChem CID5246420
Molecular FormulaC12H28O3SSi
Molecular Weight280.51 g/mol
Exact Mass280.15
IUPAC Nametris[(2-methylpropan-2-yl)oxy]-sulfanylsilane
SMILESCC(C)(C)O[Si](S)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H28O3SSi/c1-10(2,3)13-17(16,14-11(4,5)6)15-12(7,8)9/h16H,1-9H3
InChIKeyZVUGYOCGLCLJAV-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane?
The IUPAC name of tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane (CID 5246420) is tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane.
What is the SMILES notation for tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane?
The canonical SMILES for tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane is CC(C)(C)O[Si](S)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane?
The InChIKey is ZVUGYOCGLCLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3SSi/c1-10(2,3)13-17(16,14-11(4,5)6)15-12(7,8)9/h16H,1-9H3.
What are the key properties of tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane?
tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane has a molecular weight of 280.51 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2-methylpropan-2-yl)oxy]-sulfanylsilane is sourced from PubChem (CID 5246420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).