hydrogen peroxide;2-hydroperoxy-2-methylbutane

C5H14O4 — CID 172708880

IUPAChydrogen peroxide;2-hydroperoxy-2-methylbutane
SMILESCCC(C)(C)OO.OO
InChIInChI=1S/C5H12O2.H2O2/c1-4-5(2,3)7-6;1-2/h6H,4H2,1-3H3;1-2H
InChIKeyDYXXQEWMYXWIHE-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.68
Rot. Bonds2

About hydrogen peroxide;2-hydroperoxy-2-methylbutane

hydrogen peroxide;2-hydroperoxy-2-methylbutane (PubChem CID 172708880) has the molecular formula C5H14O4 and a molecular weight of 138.16 g/mol. Its IUPAC name is hydrogen peroxide;2-hydroperoxy-2-methylbutane.

Molecular Properties

Compound Namehydrogen peroxide;2-hydroperoxy-2-methylbutane
PubChem CID172708880
Molecular FormulaC5H14O4
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Namehydrogen peroxide;2-hydroperoxy-2-methylbutane
SMILESCCC(C)(C)OO.OO
InChIInChI=1S/C5H12O2.H2O2/c1-4-5(2,3)7-6;1-2/h6H,4H2,1-3H3;1-2H
InChIKeyDYXXQEWMYXWIHE-UHFFFAOYSA-N
XLogP1.68
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.68
H-Bond Donors ≤ 53
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 hydrogen peroxide;2-hydroperoxy-2-methylbutane?
The IUPAC name of hydrogen peroxide;2-hydroperoxy-2-methylbutane (CID 172708880) is hydrogen peroxide;2-hydroperoxy-2-methylbutane.
What is the SMILES notation for hydrogen peroxide;2-hydroperoxy-2-methylbutane?
The canonical SMILES for hydrogen peroxide;2-hydroperoxy-2-methylbutane is CCC(C)(C)OO.OO.
What is the InChIKey of hydrogen peroxide;2-hydroperoxy-2-methylbutane?
The InChIKey is DYXXQEWMYXWIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.H2O2/c1-4-5(2,3)7-6;1-2/h6H,4H2,1-3H3;1-2H.
What are the key properties of hydrogen peroxide;2-hydroperoxy-2-methylbutane?
hydrogen peroxide;2-hydroperoxy-2-methylbutane has a molecular weight of 138.16 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-hydroperoxy-2-methylbutane is sourced from PubChem (CID 172708880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).