2,4-dihydroperoxy-2,5-dimethylhexane

C8H18O4 — CID 139758932

IUPAC2,4-dihydroperoxy-2,5-dimethylhexane
SMILESCC(C)C(CC(C)(C)OO)OO
InChIInChI=1S/C8H18O4/c1-6(2)7(11-9)5-8(3,4)12-10/h6-7,9-10H,5H2,1-4H3
InChIKeyQOGYGVJRTRUBGU-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.16
Rot. Bonds5

About 2,4-dihydroperoxy-2,5-dimethylhexane

2,4-dihydroperoxy-2,5-dimethylhexane (PubChem CID 139758932) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,4-dihydroperoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name2,4-dihydroperoxy-2,5-dimethylhexane
PubChem CID139758932
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2,4-dihydroperoxy-2,5-dimethylhexane
SMILESCC(C)C(CC(C)(C)OO)OO
InChIInChI=1S/C8H18O4/c1-6(2)7(11-9)5-8(3,4)12-10/h6-7,9-10H,5H2,1-4H3
InChIKeyQOGYGVJRTRUBGU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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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Related Compounds

2,8-dihydroperoxy-2,8-dimethylnon-6-yn-4-ol
CID 88777125
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
2-tert-butylperoxy-4-hydroperoxy-2-methylpentane
CID 173445434
tert-butyl-(2-hydroperoxy-4-methylpentan-2-yl)diazene
CID 23466440
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
(2S)-4-tert-butylperoxy-4-methylpentan-2-ol
CID 124559678
4-[2-(4-hydroxy-2-methylpentan-2-yl)peroxypropan-2-ylperoxy]-4-methylpentan-2-ol
CID 139945230
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
CID 172755800
3-hydroperoxy-2,2-dimethylpentane
CID 58226349

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroperoxy-2,5-dimethylhexane?
The IUPAC name of 2,4-dihydroperoxy-2,5-dimethylhexane (CID 139758932) is 2,4-dihydroperoxy-2,5-dimethylhexane.
What is the SMILES notation for 2,4-dihydroperoxy-2,5-dimethylhexane?
The canonical SMILES for 2,4-dihydroperoxy-2,5-dimethylhexane is CC(C)C(CC(C)(C)OO)OO.
What is the InChIKey of 2,4-dihydroperoxy-2,5-dimethylhexane?
The InChIKey is QOGYGVJRTRUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-6(2)7(11-9)5-8(3,4)12-10/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 2,4-dihydroperoxy-2,5-dimethylhexane?
2,4-dihydroperoxy-2,5-dimethylhexane has a molecular weight of 178.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroperoxy-2,5-dimethylhexane is sourced from PubChem (CID 139758932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).