dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane

C18H32O4Si — CID 162081075

IUPACdihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(OO[SiH](O)O)c(C(C)(C)C)c1
InChIInChI=1S/C18H32O4Si/c1-16(2,3)12-10-13(17(4,5)6)15(21-22-23(19)20)14(11-12)18(7,8)9/h10-11,19-20,23H,1-9H3
InChIKeyNQOFVQOPPWSNEO-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.59
Rot. Bonds3

About dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane

dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane (PubChem CID 162081075) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane.

Molecular Properties

Compound Namedihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
PubChem CID162081075
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Namedihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(OO[SiH](O)O)c(C(C)(C)C)c1
InChIInChI=1S/C18H32O4Si/c1-16(2,3)12-10-13(17(4,5)6)15(21-22-23(19)20)14(11-12)18(7,8)9/h10-11,19-20,23H,1-9H3
InChIKeyNQOFVQOPPWSNEO-UHFFFAOYSA-N
XLogP3.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane?
The IUPAC name of dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane (CID 162081075) is dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane.
What is the SMILES notation for dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane?
The canonical SMILES for dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane is CC(C)(C)c1cc(C(C)(C)C)c(OO[SiH](O)O)c(C(C)(C)C)c1.
What is the InChIKey of dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane?
The InChIKey is NQOFVQOPPWSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-16(2,3)12-10-13(17(4,5)6)15(21-22-23(19)20)14(11-12)18(7,8)9/h10-11,19-20,23H,1-9H3.
What are the key properties of dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane?
dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane has a molecular weight of 340.54 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane is sourced from PubChem (CID 162081075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).