2,4-bis(tert-butylperoxy)-2,4-dimethylhexane

C16H34O4 — CID 18927938

IUPAC2,4-bis(tert-butylperoxy)-2,4-dimethylhexane
SMILESCCC(C)(CC(C)(C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-11-16(10,20-18-14(5,6)7)12-15(8,9)19-17-13(2,3)4/h11-12H2,1-10H3
InChIKeyHESNPRBMFPPTBB-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.82
Rot. Bonds7

About 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane

2,4-bis(tert-butylperoxy)-2,4-dimethylhexane (PubChem CID 18927938) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane.

Molecular Properties

Compound Name2,4-bis(tert-butylperoxy)-2,4-dimethylhexane
PubChem CID18927938
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name2,4-bis(tert-butylperoxy)-2,4-dimethylhexane
SMILESCCC(C)(CC(C)(C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-11-16(10,20-18-14(5,6)7)12-15(8,9)19-17-13(2,3)4/h11-12H2,1-10H3
InChIKeyHESNPRBMFPPTBB-UHFFFAOYSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
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-Bis(tert-butylperoxy)-2,5-dimethylhexane;hydrogen peroxide
CID 18000022
2,4-Dihydroperoxy-2,4-dimethylhexane
CID 20222648
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane;2-tert-butylperoxy-2-methylpropane
CID 20489919
2,5-Bis(tert-butylperoxy)-2,5-dimethylheptane
CID 21567518
3,3,6,6,9,9,12,12-Octamethyl-1,2,7,8-tetraoxacyclododecane
CID 21694151
2,4-Bis(tert-butylperoxy)-2,5-dimethylhexane
CID 22416665
2,2-Bis(tert-butylperoxy)-3-methylheptane
CID 23362556
2,4,4-Trimethyl-2-(2,4,4-trimethylhexan-2-ylperoxy)hexane
CID 54237347
2-(2,3-Dimethylhexan-2-ylperoxy)-2,3-dimethylhexane
CID 54266681

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane?
The IUPAC name of 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane (CID 18927938) is 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane.
What is the SMILES notation for 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane?
The canonical SMILES for 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane is CCC(C)(CC(C)(C)OOC(C)(C)C)OOC(C)(C)C.
What is the InChIKey of 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane?
The InChIKey is HESNPRBMFPPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-11-16(10,20-18-14(5,6)7)12-15(8,9)19-17-13(2,3)4/h11-12H2,1-10H3.
What are the key properties of 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane?
2,4-bis(tert-butylperoxy)-2,4-dimethylhexane has a molecular weight of 290.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(tert-butylperoxy)-2,4-dimethylhexane is sourced from PubChem (CID 18927938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).