tert-butylperoxy(phenyl)silane

C10H16O2Si — CID 154156719

IUPACtert-butylperoxy(phenyl)silane
SMILESCC(C)(C)OO[SiH2]c1ccccc1
InChIInChI=1S/C10H16O2Si/c1-10(2,3)11-12-13-9-7-5-4-6-8-9/h4-8H,13H2,1-3H3
InChIKeyHUYUNYJEWVTLAB-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.14
Rot. Bonds3

About tert-butylperoxy(phenyl)silane

tert-butylperoxy(phenyl)silane (PubChem CID 154156719) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is tert-butylperoxy(phenyl)silane.

Molecular Properties

Compound Nametert-butylperoxy(phenyl)silane
PubChem CID154156719
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Nametert-butylperoxy(phenyl)silane
SMILESCC(C)(C)OO[SiH2]c1ccccc1
InChIInChI=1S/C10H16O2Si/c1-10(2,3)11-12-13-9-7-5-4-6-8-9/h4-8H,13H2,1-3H3
InChIKeyHUYUNYJEWVTLAB-UHFFFAOYSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butylperoxy(phenyl)silane?
The IUPAC name of tert-butylperoxy(phenyl)silane (CID 154156719) is tert-butylperoxy(phenyl)silane.
What is the SMILES notation for tert-butylperoxy(phenyl)silane?
The canonical SMILES for tert-butylperoxy(phenyl)silane is CC(C)(C)OO[SiH2]c1ccccc1.
What is the InChIKey of tert-butylperoxy(phenyl)silane?
The InChIKey is HUYUNYJEWVTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-10(2,3)11-12-13-9-7-5-4-6-8-9/h4-8H,13H2,1-3H3.
What are the key properties of tert-butylperoxy(phenyl)silane?
tert-butylperoxy(phenyl)silane has a molecular weight of 196.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy(phenyl)silane is sourced from PubChem (CID 154156719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).