2-tert-butylperoxy-2-methylpentane

C10H22O2 — CID 12770142

IUPAC2-tert-butylperoxy-2-methylpentane
SMILESCCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H22O2/c1-7-8-10(5,6)12-11-9(2,3)4/h7-8H2,1-6H3
InChIKeyHXYUHAHCJOXJEK-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.31
Rot. Bonds4

About 2-tert-butylperoxy-2-methylpentane

2-tert-butylperoxy-2-methylpentane (PubChem CID 12770142) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpentane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpentane
PubChem CID12770142
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-tert-butylperoxy-2-methylpentane
SMILESCCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H22O2/c1-7-8-10(5,6)12-11-9(2,3)4/h7-8H2,1-6H3
InChIKeyHXYUHAHCJOXJEK-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.31
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-methylpentane?
The IUPAC name of 2-tert-butylperoxy-2-methylpentane (CID 12770142) is 2-tert-butylperoxy-2-methylpentane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpentane?
The canonical SMILES for 2-tert-butylperoxy-2-methylpentane is CCCC(C)(C)OOC(C)(C)C.
What is the InChIKey of 2-tert-butylperoxy-2-methylpentane?
The InChIKey is HXYUHAHCJOXJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-7-8-10(5,6)12-11-9(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylpentane?
2-tert-butylperoxy-2-methylpentane has a molecular weight of 174.28 g/mol, XLogP of 3.31, 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-methylpentane is sourced from PubChem (CID 12770142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).