1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane

C24H50O8 — CID 18965600

IUPAC1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane
SMILESCC(C)(C)OOCC(C)(CCC(C)(COOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C24H50O8/c1-19(2,3)27-25-17-23(13,31-29-21(7,8)9)15-16-24(14,32-30-22(10,11)12)18-26-28-20(4,5)6/h15-18H2,1-14H3
InChIKeyYPWFYYFUJZWGPL-UHFFFAOYSA-N
MW466.66 g/mol
LogP6.27
Rot. Bonds13

About 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane

1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane (PubChem CID 18965600) has the molecular formula C24H50O8 and a molecular weight of 466.66 g/mol. Its IUPAC name is 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane
PubChem CID18965600
Molecular FormulaC24H50O8
Molecular Weight466.66 g/mol
Exact Mass466.35
IUPAC Name1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane
SMILESCC(C)(C)OOCC(C)(CCC(C)(COOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C24H50O8/c1-19(2,3)27-25-17-23(13,31-29-21(7,8)9)15-16-24(14,32-30-22(10,11)12)18-26-28-20(4,5)6/h15-18H2,1-14H3
InChIKeyYPWFYYFUJZWGPL-UHFFFAOYSA-N
XLogP6.27
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,5-Bis(t-butylperoxy)2,5-dimethylhexane peroxide
CID 129726178
1,5-Bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
CID 18177591
1,5-Bis(tert-butylperoxy)-2,5-dimethylhexane
CID 18177592
2,5-Bis(2,5-dimethylhexylperoxy)-2,5-dimethylhexane
CID 20466125
1,2,5-Tris(tert-butylperoxy)-2,5-dimethylhexane
CID 22491576
1,1,2,5-Tetrakis(tert-butylperoxy)-2,5-dimethylhexane
CID 54540650
1,5-Bis(tert-butylperoxy)-2,2,5-trimethylhexane
CID 58409902
5-Methyl-5-[2-methyl-6-(trioxidanyl)hexan-2-yl]peroxy-1-(trioxidanyl)hexane
CID 88241740
2,5-Bis(tert-butylperoxy)-1-hydroperoxy-2,5-dimethylhexane
CID 88345033
2,6-Bis(tert-butylperoxy)-2-methylheptane
CID 88409107
2,5-Bis(4-tert-butylperoxybutylperoxy)-2,5-dimethylhexane
CID 141083903
2,5-Bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
CID 141108710

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane?
The IUPAC name of 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane (CID 18965600) is 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane.
What is the SMILES notation for 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane?
The canonical SMILES for 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane is CC(C)(C)OOCC(C)(CCC(C)(COOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C.
What is the InChIKey of 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane?
The InChIKey is YPWFYYFUJZWGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O8/c1-19(2,3)27-25-17-23(13,31-29-21(7,8)9)15-16-24(14,32-30-22(10,11)12)18-26-28-20(4,5)6/h15-18H2,1-14H3.
What are the key properties of 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane?
1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane has a molecular weight of 466.66 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrakis(tert-butylperoxy)-2,5-dimethylhexane is sourced from PubChem (CID 18965600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).