2,5-dihydroperoxy-2,5-dimethylhexane

C8H18O4 — CID 520470

IUPAC2,5-dihydroperoxy-2,5-dimethylhexane
SMILESCC(C)(CCC(C)(C)OO)OO
InChIInChI=1S/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3
InChIKeyJGBAASVQPMTVHO-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.30
Rot. Bonds5

About 2,5-dihydroperoxy-2,5-dimethylhexane

2,5-dihydroperoxy-2,5-dimethylhexane (PubChem CID 520470) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,5-dihydroperoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-dihydroperoxy-2,5-dimethylhexane
PubChem CID520470
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2,5-dihydroperoxy-2,5-dimethylhexane
SMILESCC(C)(CCC(C)(C)OO)OO
InChIInChI=1S/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3
InChIKeyJGBAASVQPMTVHO-UHFFFAOYSA-N
XLogP2.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroperoxy-2,5-dimethylhexane?
The IUPAC name of 2,5-dihydroperoxy-2,5-dimethylhexane (CID 520470) is 2,5-dihydroperoxy-2,5-dimethylhexane.
What is the SMILES notation for 2,5-dihydroperoxy-2,5-dimethylhexane?
The canonical SMILES for 2,5-dihydroperoxy-2,5-dimethylhexane is CC(C)(CCC(C)(C)OO)OO.
What is the InChIKey of 2,5-dihydroperoxy-2,5-dimethylhexane?
The InChIKey is JGBAASVQPMTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3.
What are the key properties of 2,5-dihydroperoxy-2,5-dimethylhexane?
2,5-dihydroperoxy-2,5-dimethylhexane has a molecular weight of 178.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroperoxy-2,5-dimethylhexane is sourced from PubChem (CID 520470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).