tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane

C13H30O6Si — CID 12509414

IUPACtert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane
SMILESCCC(OOC(C)(C)C)OO[Si](C)(C)OOC(C)(C)C
InChIInChI=1S/C13H30O6Si/c1-10-11(14-16-12(2,3)4)15-18-20(8,9)19-17-13(5,6)7/h11H,10H2,1-9H3
InChIKeyKNFKNJIPGNERNO-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.87
Rot. Bonds8

About tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane

tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane (PubChem CID 12509414) has the molecular formula C13H30O6Si and a molecular weight of 310.46 g/mol. Its IUPAC name is tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane
PubChem CID12509414
Molecular FormulaC13H30O6Si
Molecular Weight310.46 g/mol
Exact Mass310.18
IUPAC Nametert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane
SMILESCCC(OOC(C)(C)C)OO[Si](C)(C)OOC(C)(C)C
InChIInChI=1S/C13H30O6Si/c1-10-11(14-16-12(2,3)4)15-18-20(8,9)19-17-13(5,6)7/h11H,10H2,1-9H3
InChIKeyKNFKNJIPGNERNO-UHFFFAOYSA-N
XLogP3.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(1-tert-butylperoxypropylperoxy)-dimethylsilane?
The IUPAC name of tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane (CID 12509414) is tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane.
What is the SMILES notation for tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane?
The canonical SMILES for tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane is CCC(OOC(C)(C)C)OO[Si](C)(C)OOC(C)(C)C.
What is the InChIKey of tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane?
The InChIKey is KNFKNJIPGNERNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6Si/c1-10-11(14-16-12(2,3)4)15-18-20(8,9)19-17-13(5,6)7/h11H,10H2,1-9H3.
What are the key properties of tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane?
tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane has a molecular weight of 310.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy-(1-tert-butylperoxypropylperoxy)-dimethylsilane is sourced from PubChem (CID 12509414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).