2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide

C16H36O6 — CID 18000022

IUPAC2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
SMILESCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C.OO
InChIInChI=1S/C16H34O4.H2O2/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6;1-2/h11-12H2,1-10H3;1-2H
InChIKeyAUVQUSSNYWMZCA-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.83
Rot. Bonds7

About 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide

2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide (PubChem CID 18000022) has the molecular formula C16H36O6 and a molecular weight of 324.46 g/mol. Its IUPAC name is 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide.

Molecular Properties

Compound Name2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
PubChem CID18000022
Molecular FormulaC16H36O6
Molecular Weight324.46 g/mol
Exact Mass324.25
IUPAC Name2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
SMILESCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C.OO
InChIInChI=1S/C16H34O4.H2O2/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6;1-2/h11-12H2,1-10H3;1-2H
InChIKeyAUVQUSSNYWMZCA-UHFFFAOYSA-N
XLogP4.83
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
CID 6545
2,5-Dimethylhexane 2,5-dihydroperoxide
CID 520470
Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis(2-(1,1-dimethylpropyl)
CID 78848
2,2-Bis(2-methylbutan-2-ylperoxy)hexane
CID 140466140
2,5-Dimethyl-2-hydroperoxide-5-tert-butylperoxyhexane
CID 141046
2,5-Bis(butylperoxy)-2,5-dimethylhexane
CID 15930850
2,4-Bis(tert-butylperoxy)-2,4-dimethylhexane
CID 18927938
2,5-Dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide
CID 19764061
2,5-Dimethyl-2,5-bis(2,4,4-trimethylpentan-2-ylperoxy)hexane
CID 20437646
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane;2-tert-butylperoxy-2-methylpropane
CID 20489919
2,5-Dimethyl-2,5-bis(2-methylheptan-2-ylperoxy)hexane
CID 21289240
2,5-Bis(tert-butylperoxy)-2,5-dimethylheptane
CID 21567518

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
The IUPAC name of 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide (CID 18000022) is 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide.
What is the SMILES notation for 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
The canonical SMILES for 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide is CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C.OO.
What is the InChIKey of 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
The InChIKey is AUVQUSSNYWMZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4.H2O2/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6;1-2/h11-12H2,1-10H3;1-2H.
What are the key properties of 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide has a molecular weight of 324.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide is sourced from PubChem (CID 18000022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).