2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide

C16H34O6 — CID 157235691

IUPAC2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide
SMILESCC(C)(C)OOC(C)(C)C=CC(C)(C)OOC(C)(C)C.OO
InChIInChI=1S/C16H32O4.H2O2/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6;1-2/h11-12H,1-10H3;1-2H
InChIKeyAUPMEHLZGWJWGU-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.61
Rot. Bonds6

About 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide

2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide (PubChem CID 157235691) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide.

Molecular Properties

Compound Name2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide
PubChem CID157235691
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide
SMILESCC(C)(C)OOC(C)(C)C=CC(C)(C)OOC(C)(C)C.OO
InChIInChI=1S/C16H32O4.H2O2/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6;1-2/h11-12H,1-10H3;1-2H
InChIKeyAUPMEHLZGWJWGU-UHFFFAOYSA-N
XLogP4.61
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
CID 11659272
3-tert-butylperoxy-3-methylbut-1-ene
CID 11829716
(2Z,4Z,6E)-8-tert-butylperoxy-8-methylnona-2,4,6-triene
CID 143646940
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
but-2-enoic acid;2-tert-butylperoxy-2-methylpropane
CID 162086796
tert-butylperoxy hydrogen carbonate;prop-1-ene
CID 175150444
2-tert-butylperoxy-2-methylpropan-1-ol
CID 14069529
(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol
CID 10845862
2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal
CID 140995849
(2E)-4-tert-butylperoxy-2-ethylidene-4-methylpentanoic acid
CID 23176863
2-methyl-2-prop-2-enylperoxypropane
CID 13462609

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide?
The IUPAC name of 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide (CID 157235691) is 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide.
What is the SMILES notation for 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide?
The canonical SMILES for 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide is CC(C)(C)OOC(C)(C)C=CC(C)(C)OOC(C)(C)C.OO.
What is the InChIKey of 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide?
The InChIKey is AUPMEHLZGWJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4.H2O2/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6;1-2/h11-12H,1-10H3;1-2H.
What are the key properties of 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide?
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide has a molecular weight of 322.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide is sourced from PubChem (CID 157235691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).