tert-butylperoxysilane

C4H12O2Si — CID 123650239

IUPACtert-butylperoxysilane
SMILESCC(C)(C)OO[SiH3]
InChIInChI=1S/C4H12O2Si/c1-4(2,3)5-6-7/h1-3,7H3
InChIKeyXDFVDXNUFFNBOH-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.01
Rot. Bonds1

About tert-butylperoxysilane

tert-butylperoxysilane (PubChem CID 123650239) has the molecular formula C4H12O2Si and a molecular weight of 120.22 g/mol. Its IUPAC name is tert-butylperoxysilane.

Molecular Properties

Compound Nametert-butylperoxysilane
PubChem CID123650239
Molecular FormulaC4H12O2Si
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Nametert-butylperoxysilane
SMILESCC(C)(C)OO[SiH3]
InChIInChI=1S/C4H12O2Si/c1-4(2,3)5-6-7/h1-3,7H3
InChIKeyXDFVDXNUFFNBOH-UHFFFAOYSA-N
XLogP0.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.01
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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Related Compounds

2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
CID 19866769
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
CID 160538255
2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
CID 175369283
(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
CID 11659272
1,1-dichloroethoxysilane
CID 123382571
2-ethynylperoxy-2-methylpropane
CID 141453811
3,3-bis(tert-butylperoxy)pentane
CID 20542110
tert-butylperoxymethanamine
CID 141267912
2-tert-butylperoxy-2-methylheptane
CID 21475586
3-tert-butylperoxy-3-methylbut-1-ene
CID 11829716

Frequently Asked Questions

What is the IUPAC name of tert-butylperoxysilane?
The IUPAC name of tert-butylperoxysilane (CID 123650239) is tert-butylperoxysilane.
What is the SMILES notation for tert-butylperoxysilane?
The canonical SMILES for tert-butylperoxysilane is CC(C)(C)OO[SiH3].
What is the InChIKey of tert-butylperoxysilane?
The InChIKey is XDFVDXNUFFNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2Si/c1-4(2,3)5-6-7/h1-3,7H3.
What are the key properties of tert-butylperoxysilane?
tert-butylperoxysilane has a molecular weight of 120.22 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxysilane is sourced from PubChem (CID 123650239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).