2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane

C16H34O8 — CID 18674883

IUPAC2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane
SMILESCC(C)(C)OOC(C)(C)C(OO)C(OO)C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H34O8/c1-13(2,3)21-23-15(7,8)11(19-17)12(20-18)16(9,10)24-22-14(4,5)6/h11-12,17-18H,1-10H3
InChIKeyBVCDCAYQFLFCBC-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.75
Rot. Bonds9

About 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane

2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane (PubChem CID 18674883) has the molecular formula C16H34O8 and a molecular weight of 354.44 g/mol. Its IUPAC name is 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane
PubChem CID18674883
Molecular FormulaC16H34O8
Molecular Weight354.44 g/mol
Exact Mass354.23
IUPAC Name2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane
SMILESCC(C)(C)OOC(C)(C)C(OO)C(OO)C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H34O8/c1-13(2,3)21-23-15(7,8)11(19-17)12(20-18)16(9,10)24-22-14(4,5)6/h11-12,17-18H,1-10H3
InChIKeyBVCDCAYQFLFCBC-UHFFFAOYSA-N
XLogP3.75
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane?
The IUPAC name of 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane (CID 18674883) is 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane.
What is the SMILES notation for 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane?
The canonical SMILES for 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane is CC(C)(C)OOC(C)(C)C(OO)C(OO)C(C)(C)OOC(C)(C)C.
What is the InChIKey of 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane?
The InChIKey is BVCDCAYQFLFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O8/c1-13(2,3)21-23-15(7,8)11(19-17)12(20-18)16(9,10)24-22-14(4,5)6/h11-12,17-18H,1-10H3.
What are the key properties of 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane?
2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane has a molecular weight of 354.44 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylperoxy)-3,4-dihydroperoxy-2,5-dimethylhexane is sourced from PubChem (CID 18674883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).