2-tert-butylperoxy-2-methylpropane;octane

C16H36O2 — CID 161064839

IUPAC2-tert-butylperoxy-2-methylpropane;octane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCC
InChIInChI=1S/C8H18O2.C8H18/c1-7(2,3)9-10-8(4,5)6;1-3-5-7-8-6-4-2/h1-6H3;3-8H2,1-2H3
InChIKeyUDWNNNSAPMHWBY-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.90
Rot. Bonds6

About 2-tert-butylperoxy-2-methylpropane;octane

2-tert-butylperoxy-2-methylpropane;octane (PubChem CID 161064839) has the molecular formula C16H36O2 and a molecular weight of 260.46 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;octane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;octane
PubChem CID161064839
Molecular FormulaC16H36O2
Molecular Weight260.46 g/mol
Exact Mass260.27
IUPAC Name2-tert-butylperoxy-2-methylpropane;octane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCC
InChIInChI=1S/C8H18O2.C8H18/c1-7(2,3)9-10-8(4,5)6;1-3-5-7-8-6-4-2/h1-6H3;3-8H2,1-2H3
InChIKeyUDWNNNSAPMHWBY-UHFFFAOYSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;octane?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;octane (CID 161064839) is 2-tert-butylperoxy-2-methylpropane;octane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;octane?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;octane is CC(C)(C)OOC(C)(C)C.CCCCCCCC.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;octane?
The InChIKey is UDWNNNSAPMHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C8H18/c1-7(2,3)9-10-8(4,5)6;1-3-5-7-8-6-4-2/h1-6H3;3-8H2,1-2H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;octane?
2-tert-butylperoxy-2-methylpropane;octane has a molecular weight of 260.46 g/mol, XLogP of 5.90, 6 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;octane is sourced from PubChem (CID 161064839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).