2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane

C8H18O3 — CID 14959414

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane
SMILESCC(C)(C)OOOC(C)(C)C
InChIInChI=1S/C8H18O3/c1-7(2,3)9-11-10-8(4,5)6/h1-6H3
InChIKeyNLDIHQURFMTKTR-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane

2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane (PubChem CID 14959414) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane
PubChem CID14959414
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane
SMILESCC(C)(C)OOOC(C)(C)C
InChIInChI=1S/C8H18O3/c1-7(2,3)9-11-10-8(4,5)6/h1-6H3
InChIKeyNLDIHQURFMTKTR-UHFFFAOYSA-N
XLogP2.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane (CID 14959414) is 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane is CC(C)(C)OOOC(C)(C)C.
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane?
The InChIKey is NLDIHQURFMTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(2,3)9-11-10-8(4,5)6/h1-6H3.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane?
2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane has a molecular weight of 162.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane is sourced from PubChem (CID 14959414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).