tert-butylperoxy(trinaphthalen-2-yl)silane

C34H30O2Si — CID 19352745

IUPACtert-butylperoxy(trinaphthalen-2-yl)silane
SMILESCC(C)(C)OO[Si](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C34H30O2Si/c1-34(2,3)35-36-37(31-19-16-25-10-4-7-13-28(25)22-31,32-20-17-26-11-5-8-14-29(26)23-32)33-21-18-27-12-6-9-15-30(27)24-33/h4-24H,1-3H3
InChIKeyQZDVYSWLLZUADP-UHFFFAOYSA-N
MW498.70 g/mol
LogP6.86
Rot. Bonds5

About tert-butylperoxy(trinaphthalen-2-yl)silane

tert-butylperoxy(trinaphthalen-2-yl)silane (PubChem CID 19352745) has the molecular formula C34H30O2Si and a molecular weight of 498.70 g/mol. Its IUPAC name is tert-butylperoxy(trinaphthalen-2-yl)silane.

Molecular Properties

Compound Nametert-butylperoxy(trinaphthalen-2-yl)silane
PubChem CID19352745
Molecular FormulaC34H30O2Si
Molecular Weight498.70 g/mol
Exact Mass498.20
IUPAC Nametert-butylperoxy(trinaphthalen-2-yl)silane
SMILESCC(C)(C)OO[Si](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C34H30O2Si/c1-34(2,3)35-36-37(31-19-16-25-10-4-7-13-28(25)22-31,32-20-17-26-11-5-8-14-29(26)23-32)33-21-18-27-12-6-9-15-30(27)24-33/h4-24H,1-3H3
InChIKeyQZDVYSWLLZUADP-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.70
LogP ≤ 56.86
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butylperoxy(trinaphthalen-2-yl)silane?
The IUPAC name of tert-butylperoxy(trinaphthalen-2-yl)silane (CID 19352745) is tert-butylperoxy(trinaphthalen-2-yl)silane.
What is the SMILES notation for tert-butylperoxy(trinaphthalen-2-yl)silane?
The canonical SMILES for tert-butylperoxy(trinaphthalen-2-yl)silane is CC(C)(C)OO[Si](c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of tert-butylperoxy(trinaphthalen-2-yl)silane?
The InChIKey is QZDVYSWLLZUADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O2Si/c1-34(2,3)35-36-37(31-19-16-25-10-4-7-13-28(25)22-31,32-20-17-26-11-5-8-14-29(26)23-32)33-21-18-27-12-6-9-15-30(27)24-33/h4-24H,1-3H3.
What are the key properties of tert-butylperoxy(trinaphthalen-2-yl)silane?
tert-butylperoxy(trinaphthalen-2-yl)silane has a molecular weight of 498.70 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy(trinaphthalen-2-yl)silane is sourced from PubChem (CID 19352745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).