hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane

C9H24O6 — CID 172755800

IUPAChydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO.CCC(C)(C)OO.OO
InChIInChI=1S/C5H12O2.C4H10O2.H2O2/c1-4-5(2,3)7-6;1-4(2,3)6-5;1-2/h6H,4H2,1-3H3;5H,1-3H3;1-2H
InChIKeyKZTWEXPZODPEAQ-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.96
Rot. Bonds2

About hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane

hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane (PubChem CID 172755800) has the molecular formula C9H24O6 and a molecular weight of 228.28 g/mol. Its IUPAC name is hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane.

Molecular Properties

Compound Namehydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
PubChem CID172755800
Molecular FormulaC9H24O6
Molecular Weight228.28 g/mol
Exact Mass228.16
IUPAC Namehydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO.CCC(C)(C)OO.OO
InChIInChI=1S/C5H12O2.C4H10O2.H2O2/c1-4-5(2,3)7-6;1-4(2,3)6-5;1-2/h6H,4H2,1-3H3;5H,1-3H3;1-2H
InChIKeyKZTWEXPZODPEAQ-UHFFFAOYSA-N
XLogP2.96
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.96
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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Related Compounds

hydrogen peroxide;2-hydroperoxy-2-methylbutane
CID 172708880
sodium;hydride;2-hydroperoxy-2-methylbutane
CID 175579970
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
2-hydroperoxy-2-methylpropane;propyl hydrogen carbonate
CID 159910135
potassium;2-hydroperoxy-2-methylpropane;hypobromite
CID 157454596
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
CID 176988687
2-methyl-2-(2-methylbutan-2-yloxy)butane;hydrochloride
CID 87152227
sodium 2-methyl-2-(2-methylbutan-2-yloxy)butane
CID 24898418
2-hydroperoxy-2-methyltridecane
CID 140639786
2-hydroperoxy-2-methylnonane
CID 15188455

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane?
The IUPAC name of hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane (CID 172755800) is hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane.
What is the SMILES notation for hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane?
The canonical SMILES for hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane is CC(C)(C)OO.CCC(C)(C)OO.OO.
What is the InChIKey of hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane?
The InChIKey is KZTWEXPZODPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H10O2.H2O2/c1-4-5(2,3)7-6;1-4(2,3)6-5;1-2/h6H,4H2,1-3H3;5H,1-3H3;1-2H.
What are the key properties of hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane?
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane has a molecular weight of 228.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane is sourced from PubChem (CID 172755800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).