1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide

C16H36O6 — CID 18177591

IUPAC1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
SMILESCC(CCC(C)(C)OOC(C)(C)C)COOC(C)(C)C.OO
InChIInChI=1S/C16H34O4.H2O2/c1-13(12-17-18-14(2,3)4)10-11-16(8,9)20-19-15(5,6)7;1-2/h13H,10-12H2,1-9H3;1-2H
InChIKeySTRFNFUYUCBLMZ-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.69
Rot. Bonds8

About 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide

1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide (PubChem CID 18177591) has the molecular formula C16H36O6 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide.

Molecular Properties

Compound Name1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
PubChem CID18177591
Molecular FormulaC16H36O6
Molecular Weight324.46 g/mol
Exact Mass324.25
IUPAC Name1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
SMILESCC(CCC(C)(C)OOC(C)(C)C)COOC(C)(C)C.OO
InChIInChI=1S/C16H34O4.H2O2/c1-13(12-17-18-14(2,3)4)10-11-16(8,9)20-19-15(5,6)7;1-2/h13H,10-12H2,1-9H3;1-2H
InChIKeySTRFNFUYUCBLMZ-UHFFFAOYSA-N
XLogP4.69
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
The IUPAC name of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide (CID 18177591) is 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide.
What is the SMILES notation for 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
The canonical SMILES for 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide is CC(CCC(C)(C)OOC(C)(C)C)COOC(C)(C)C.OO.
What is the InChIKey of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
The InChIKey is STRFNFUYUCBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4.H2O2/c1-13(12-17-18-14(2,3)4)10-11-16(8,9)20-19-15(5,6)7;1-2/h13H,10-12H2,1-9H3;1-2H.
What are the key properties of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide?
1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide has a molecular weight of 324.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide is sourced from PubChem (CID 18177591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).