2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C32H72O20Si4 — CID 71370392

IUPAC2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)OO[Si]1(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O1
InChIInChI=1S/C32H72O20Si4/c1-25(2,3)33-41-53(42-34-26(4,5)6)49-54(43-35-27(7,8)9,44-36-28(10,11)12)51-56(47-39-31(19,20)21,48-40-32(22,23)24)52-55(50-53,45-37-29(13,14)15)46-38-30(16,17)18/h1-24H3
InChIKeyDMPZDDZKJAGVRW-UHFFFAOYSA-N
MW889.25 g/mol
LogP7.78
Rot. Bonds16

About 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 71370392) has the molecular formula C32H72O20Si4 and a molecular weight of 889.25 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID71370392
Molecular FormulaC32H72O20Si4
Molecular Weight889.25 g/mol
Exact Mass888.37
IUPAC Name2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)OO[Si]1(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O1
InChIInChI=1S/C32H72O20Si4/c1-25(2,3)33-41-53(42-34-26(4,5)6)49-54(43-35-27(7,8)9,44-36-28(10,11)12)51-56(47-39-31(19,20)21,48-40-32(22,23)24)52-55(50-53,45-37-29(13,14)15)46-38-30(16,17)18/h1-24H3
InChIKeyDMPZDDZKJAGVRW-UHFFFAOYSA-N
XLogP7.78
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.25
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 71370392) is 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C)(C)OO[Si]1(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is DMPZDDZKJAGVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72O20Si4/c1-25(2,3)33-41-53(42-34-26(4,5)6)49-54(43-35-27(7,8)9,44-36-28(10,11)12)51-56(47-39-31(19,20)21,48-40-32(22,23)24)52-55(50-53,45-37-29(13,14)15)46-38-30(16,17)18/h1-24H3.
What are the key properties of 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 889.25 g/mol, XLogP of 7.78, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octakis(tert-butylperoxy)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 71370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).