2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane

C24H50O8 — CID 141083903

IUPAC2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane
SMILESCC(C)(C)OOCCCCOOC(C)(C)CCC(C)(C)OOCCCCOOC(C)(C)C
InChIInChI=1S/C24H50O8/c1-21(2,3)29-25-17-11-13-19-27-31-23(7,8)15-16-24(9,10)32-28-20-14-12-18-26-30-22(4,5)6/h11-20H2,1-10H3
InChIKeyBETSFLOIWRYEII-UHFFFAOYSA-N
MW466.66 g/mol
LogP6.27
Rot. Bonds19

About 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane

2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane (PubChem CID 141083903) has the molecular formula C24H50O8 and a molecular weight of 466.66 g/mol. Its IUPAC name is 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane
PubChem CID141083903
Molecular FormulaC24H50O8
Molecular Weight466.66 g/mol
Exact Mass466.35
IUPAC Name2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane
SMILESCC(C)(C)OOCCCCOOC(C)(C)CCC(C)(C)OOCCCCOOC(C)(C)C
InChIInChI=1S/C24H50O8/c1-21(2,3)29-25-17-11-13-19-27-31-23(7,8)15-16-24(9,10)32-28-20-14-12-18-26-30-22(4,5)6/h11-20H2,1-10H3
InChIKeyBETSFLOIWRYEII-UHFFFAOYSA-N
XLogP6.27
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane?
The IUPAC name of 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane (CID 141083903) is 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane.
What is the SMILES notation for 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane?
The canonical SMILES for 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane is CC(C)(C)OOCCCCOOC(C)(C)CCC(C)(C)OOCCCCOOC(C)(C)C.
What is the InChIKey of 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane?
The InChIKey is BETSFLOIWRYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O8/c1-21(2,3)29-25-17-11-13-19-27-31-23(7,8)15-16-24(9,10)32-28-20-14-12-18-26-30-22(4,5)6/h11-20H2,1-10H3.
What are the key properties of 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane?
2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane has a molecular weight of 466.66 g/mol, XLogP of 6.27, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane is sourced from PubChem (CID 141083903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).