2-tert-butylperoxy-2-methylpropane;hexane

C14H32O2 — CID 22241753

IUPAC2-tert-butylperoxy-2-methylpropane;hexane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCC
InChIInChI=1S/C8H18O2.C6H14/c1-7(2,3)9-10-8(4,5)6;1-3-5-6-4-2/h1-6H3;3-6H2,1-2H3
InChIKeyXTUPREMODWQUSJ-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.12
Rot. Bonds4

About 2-tert-butylperoxy-2-methylpropane;hexane

2-tert-butylperoxy-2-methylpropane;hexane (PubChem CID 22241753) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;hexane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;hexane
PubChem CID22241753
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Name2-tert-butylperoxy-2-methylpropane;hexane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCC
InChIInChI=1S/C8H18O2.C6H14/c1-7(2,3)9-10-8(4,5)6;1-3-5-6-4-2/h1-6H3;3-6H2,1-2H3
InChIKeyXTUPREMODWQUSJ-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.12
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;hexane?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;hexane (CID 22241753) is 2-tert-butylperoxy-2-methylpropane;hexane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;hexane?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;hexane is CC(C)(C)OOC(C)(C)C.CCCCCC.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;hexane?
The InChIKey is XTUPREMODWQUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C6H14/c1-7(2,3)9-10-8(4,5)6;1-3-5-6-4-2/h1-6H3;3-6H2,1-2H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;hexane?
2-tert-butylperoxy-2-methylpropane;hexane has a molecular weight of 232.41 g/mol, XLogP of 5.12, 4 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;hexane is sourced from PubChem (CID 22241753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).