2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane

C24H50O8 — CID 141108710

IUPAC2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
SMILESCC(C)(C)OOCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)COOC(C)(C)C
InChIInChI=1S/C24H50O8/c1-19(2,3)27-25-17-23(11,12)31-29-21(7,8)15-16-22(9,10)30-32-24(13,14)18-26-28-20(4,5)6/h15-18H2,1-14H3
InChIKeyLAIPBKHPMKWTAD-UHFFFAOYSA-N
MW466.66 g/mol
LogP6.27
Rot. Bonds15

About 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane

2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane (PubChem CID 141108710) has the molecular formula C24H50O8 and a molecular weight of 466.66 g/mol. Its IUPAC name is 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
PubChem CID141108710
Molecular FormulaC24H50O8
Molecular Weight466.66 g/mol
Exact Mass466.35
IUPAC Name2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
SMILESCC(C)(C)OOCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)COOC(C)(C)C
InChIInChI=1S/C24H50O8/c1-19(2,3)27-25-17-23(11,12)31-29-21(7,8)15-16-22(9,10)30-32-24(13,14)18-26-28-20(4,5)6/h15-18H2,1-14H3
InChIKeyLAIPBKHPMKWTAD-UHFFFAOYSA-N
XLogP6.27
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
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'}

Analyze 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
CID 6545
Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis(2-(1,1-dimethylpropyl)
CID 78848
2,5-Bis(1-fluorobutylperoxy)-2,5-dimethylhexane
CID 87083835
2,5-Bis(butylperoxy)-2,5-dimethylhexane
CID 15930850
2,3,5-Tris(tert-butylperoxy)-2,5-dimethylhexane
CID 17858746
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
CID 18000022
2,5-Bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane
CID 18674883
1,2,5,6-Tetrakis(tert-butylperoxy)-2,5-dimethylhexane
CID 18965600
2,3-Bis(tert-butylperoxy)-2,5-dimethylhexane
CID 19090290
2,5-Bis(2,5-dimethylhexylperoxy)-2,5-dimethylhexane
CID 20466125
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane;2-tert-butylperoxy-2-methylpropane
CID 20489919
2,5-Bis(2,2-dimethylhexan-3-ylperoxy)-2,5-dimethylhexane
CID 20547385

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane?
The IUPAC name of 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane (CID 141108710) is 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane.
What is the SMILES notation for 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane?
The canonical SMILES for 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane is CC(C)(C)OOCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)COOC(C)(C)C.
What is the InChIKey of 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane?
The InChIKey is LAIPBKHPMKWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O8/c1-19(2,3)27-25-17-23(11,12)31-29-21(7,8)15-16-22(9,10)30-32-24(13,14)18-26-28-20(4,5)6/h15-18H2,1-14H3.
What are the key properties of 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane?
2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane has a molecular weight of 466.66 g/mol, XLogP of 6.27, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane is sourced from PubChem (CID 141108710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).