2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide

C8H20O6 — CID 19764061

IUPAC2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide
SMILESCC(C)(CCC(C)(C)OO)OO.OO
InChIInChI=1S/C8H18O4.H2O2/c1-7(2,11-9)5-6-8(3,4)12-10;1-2/h9-10H,5-6H2,1-4H3;1-2H
InChIKeyHDOQWCPEZJLNCY-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.32
Rot. Bonds5

About 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide

2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide (PubChem CID 19764061) has the molecular formula C8H20O6 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide.

Molecular Properties

Compound Name2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide
PubChem CID19764061
Molecular FormulaC8H20O6
Molecular Weight212.24 g/mol
Exact Mass212.13
IUPAC Name2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide
SMILESCC(C)(CCC(C)(C)OO)OO.OO
InChIInChI=1S/C8H18O4.H2O2/c1-7(2,11-9)5-6-8(3,4)12-10;1-2/h9-10H,5-6H2,1-4H3;1-2H
InChIKeyHDOQWCPEZJLNCY-UHFFFAOYSA-N
XLogP2.32
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide?
The IUPAC name of 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide (CID 19764061) is 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide.
What is the SMILES notation for 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide?
The canonical SMILES for 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide is CC(C)(CCC(C)(C)OO)OO.OO.
What is the InChIKey of 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide?
The InChIKey is HDOQWCPEZJLNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4.H2O2/c1-7(2,11-9)5-6-8(3,4)12-10;1-2/h9-10H,5-6H2,1-4H3;1-2H.
What are the key properties of 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide?
2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide has a molecular weight of 212.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroperoxy-2,5-dimethylhexane;hydrogen peroxide is sourced from PubChem (CID 19764061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).