2-tert-butylperoxy-2-methylpropane

C8H18O2 — CID 8033

IUPAC2-tert-butylperoxy-2-methylpropane
SMILESCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChIKeyLSXWFXONGKSEMY-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.53
Rot. Bonds1

About 2-tert-butylperoxy-2-methylpropane

2-tert-butylperoxy-2-methylpropane (PubChem CID 8033) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane
PubChem CID8033
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-tert-butylperoxy-2-methylpropane
SMILESCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
InChIKeyLSXWFXONGKSEMY-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.53
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?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane (CID 8033) is 2-tert-butylperoxy-2-methylpropane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane is CC(C)(C)OOC(C)(C)C.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane?
The InChIKey is LSXWFXONGKSEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane?
2-tert-butylperoxy-2-methylpropane has a molecular weight of 146.23 g/mol, XLogP of 2.53, 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 is sourced from PubChem (CID 8033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).