2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane

C14H32O4 — CID 160538255

IUPAC2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
SMILESCC(C)(C)OOC(C)(C)OOC(C)(C)C.CCC
InChIInChI=1S/C11H24O4.C3H8/c1-9(2,3)12-14-11(7,8)15-13-10(4,5)6;1-3-2/h1-8H3;3H2,1-2H3
InChIKeyQWLAUWHSBNBPAF-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.63
Rot. Bonds4

About 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane

2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane (PubChem CID 160538255) has the molecular formula C14H32O4 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane.

Molecular Properties

Compound Name2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
PubChem CID160538255
Molecular FormulaC14H32O4
Molecular Weight264.41 g/mol
Exact Mass264.23
IUPAC Name2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
SMILESCC(C)(C)OOC(C)(C)OOC(C)(C)C.CCC
InChIInChI=1S/C11H24O4.C3H8/c1-9(2,3)12-14-11(7,8)15-13-10(4,5)6;1-3-2/h1-8H3;3H2,1-2H3
InChIKeyQWLAUWHSBNBPAF-UHFFFAOYSA-N
XLogP4.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane?
The IUPAC name of 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane (CID 160538255) is 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane.
What is the SMILES notation for 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane?
The canonical SMILES for 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane is CC(C)(C)OOC(C)(C)OOC(C)(C)C.CCC.
What is the InChIKey of 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane?
The InChIKey is QWLAUWHSBNBPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4.C3H8/c1-9(2,3)12-14-11(7,8)15-13-10(4,5)6;1-3-2/h1-8H3;3H2,1-2H3.
What are the key properties of 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane?
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane has a molecular weight of 264.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane is sourced from PubChem (CID 160538255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).