2-tert-butylperoxy-2-methylpropane;hydron

C8H20O2+2 — CID 174785331

IUPAC2-tert-butylperoxy-2-methylpropane;hydron
SMILESCC(C)(C)OOC(C)(C)C.[H+].[H+]
InChIInChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3/p+2
InChIKeyLSXWFXONGKSEMY-UHFFFAOYSA-P
MW148.25 g/mol
LogP2.76
Rot. Bonds1

About 2-tert-butylperoxy-2-methylpropane;hydron

2-tert-butylperoxy-2-methylpropane;hydron (PubChem CID 174785331) has the molecular formula C8H20O2+2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;hydron.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;hydron
PubChem CID174785331
Molecular FormulaC8H20O2+2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Name2-tert-butylperoxy-2-methylpropane;hydron
SMILESCC(C)(C)OOC(C)(C)C.[H+].[H+]
InChIInChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3/p+2
InChIKeyLSXWFXONGKSEMY-UHFFFAOYSA-P
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-tert-butylperoxy-2-methylpropane;hydron?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;hydron (CID 174785331) is 2-tert-butylperoxy-2-methylpropane;hydron.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;hydron?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;hydron is CC(C)(C)OOC(C)(C)C.[H+].[H+].
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;hydron?
The InChIKey is LSXWFXONGKSEMY-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3/p+2.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;hydron?
2-tert-butylperoxy-2-methylpropane;hydron has a molecular weight of 148.25 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylpropane;hydron is sourced from PubChem (CID 174785331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).