2-(2-methylpropylperoxy)butane

C8H18O2 — CID 57278946

IUPAC2-(2-methylpropylperoxy)butane
SMILESCCC(C)OOCC(C)C
InChIInChI=1S/C8H18O2/c1-5-8(4)10-9-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyCZQCIGCTAGISAL-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-methylpropylperoxy)butane

2-(2-methylpropylperoxy)butane (PubChem CID 57278946) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-(2-methylpropylperoxy)butane.

Molecular Properties

Compound Name2-(2-methylpropylperoxy)butane
PubChem CID57278946
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-(2-methylpropylperoxy)butane
SMILESCCC(C)OOCC(C)C
InChIInChI=1S/C8H18O2/c1-5-8(4)10-9-6-7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyCZQCIGCTAGISAL-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.39
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-(2-methylpropylperoxy)butane?
The IUPAC name of 2-(2-methylpropylperoxy)butane (CID 57278946) is 2-(2-methylpropylperoxy)butane.
What is the SMILES notation for 2-(2-methylpropylperoxy)butane?
The canonical SMILES for 2-(2-methylpropylperoxy)butane is CCC(C)OOCC(C)C.
What is the InChIKey of 2-(2-methylpropylperoxy)butane?
The InChIKey is CZQCIGCTAGISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-8(4)10-9-6-7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2-methylpropylperoxy)butane?
2-(2-methylpropylperoxy)butane has a molecular weight of 146.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylperoxy)butane is sourced from PubChem (CID 57278946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).