tris(tert-butylperoxy)-thiophen-2-ylsilane

C16H30O6SSi — CID 71382565

IUPACtris(tert-butylperoxy)-thiophen-2-ylsilane
SMILESCC(C)(C)OO[Si](OOC(C)(C)C)(OOC(C)(C)C)c1cccs1
InChIInChI=1S/C16H30O6SSi/c1-14(2,3)17-20-24(13-11-10-12-23-13,21-18-15(4,5)6)22-19-16(7,8)9/h10-12H,1-9H3
InChIKeyCOPBFASNPXZWLF-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.13
Rot. Bonds7

About tris(tert-butylperoxy)-thiophen-2-ylsilane

tris(tert-butylperoxy)-thiophen-2-ylsilane (PubChem CID 71382565) has the molecular formula C16H30O6SSi and a molecular weight of 378.56 g/mol. Its IUPAC name is tris(tert-butylperoxy)-thiophen-2-ylsilane.

Molecular Properties

Compound Nametris(tert-butylperoxy)-thiophen-2-ylsilane
PubChem CID71382565
Molecular FormulaC16H30O6SSi
Molecular Weight378.56 g/mol
Exact Mass378.15
IUPAC Nametris(tert-butylperoxy)-thiophen-2-ylsilane
SMILESCC(C)(C)OO[Si](OOC(C)(C)C)(OOC(C)(C)C)c1cccs1
InChIInChI=1S/C16H30O6SSi/c1-14(2,3)17-20-24(13-11-10-12-23-13,21-18-15(4,5)6)22-19-16(7,8)9/h10-12H,1-9H3
InChIKeyCOPBFASNPXZWLF-UHFFFAOYSA-N
XLogP4.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(tert-butylperoxy)-thiophen-2-ylsilane?
The IUPAC name of tris(tert-butylperoxy)-thiophen-2-ylsilane (CID 71382565) is tris(tert-butylperoxy)-thiophen-2-ylsilane.
What is the SMILES notation for tris(tert-butylperoxy)-thiophen-2-ylsilane?
The canonical SMILES for tris(tert-butylperoxy)-thiophen-2-ylsilane is CC(C)(C)OO[Si](OOC(C)(C)C)(OOC(C)(C)C)c1cccs1.
What is the InChIKey of tris(tert-butylperoxy)-thiophen-2-ylsilane?
The InChIKey is COPBFASNPXZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6SSi/c1-14(2,3)17-20-24(13-11-10-12-23-13,21-18-15(4,5)6)22-19-16(7,8)9/h10-12H,1-9H3.
What are the key properties of tris(tert-butylperoxy)-thiophen-2-ylsilane?
tris(tert-butylperoxy)-thiophen-2-ylsilane has a molecular weight of 378.56 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butylperoxy)-thiophen-2-ylsilane is sourced from PubChem (CID 71382565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).