2,5-bis(tert-butylperoxy)-2-methylhexane

C15H32O4 — CID 22255865

IUPAC2,5-bis(tert-butylperoxy)-2-methylhexane
SMILESCC(CCC(C)(C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C15H32O4/c1-12(16-17-13(2,3)4)10-11-15(8,9)19-18-14(5,6)7/h12H,10-11H2,1-9H3
InChIKeyPJHHABMXMTVRHP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.43
Rot. Bonds7

About 2,5-bis(tert-butylperoxy)-2-methylhexane

2,5-bis(tert-butylperoxy)-2-methylhexane (PubChem CID 22255865) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,5-bis(tert-butylperoxy)-2-methylhexane.

Molecular Properties

Compound Name2,5-bis(tert-butylperoxy)-2-methylhexane
PubChem CID22255865
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2,5-bis(tert-butylperoxy)-2-methylhexane
SMILESCC(CCC(C)(C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C15H32O4/c1-12(16-17-13(2,3)4)10-11-15(8,9)19-18-14(5,6)7/h12H,10-11H2,1-9H3
InChIKeyPJHHABMXMTVRHP-UHFFFAOYSA-N
XLogP4.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2,5-bis(tert-butylperoxy)-2-methylhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tert-butylperoxy)-2-methylhexane?
The IUPAC name of 2,5-bis(tert-butylperoxy)-2-methylhexane (CID 22255865) is 2,5-bis(tert-butylperoxy)-2-methylhexane.
What is the SMILES notation for 2,5-bis(tert-butylperoxy)-2-methylhexane?
The canonical SMILES for 2,5-bis(tert-butylperoxy)-2-methylhexane is CC(CCC(C)(C)OOC(C)(C)C)OOC(C)(C)C.
What is the InChIKey of 2,5-bis(tert-butylperoxy)-2-methylhexane?
The InChIKey is PJHHABMXMTVRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-12(16-17-13(2,3)4)10-11-15(8,9)19-18-14(5,6)7/h12H,10-11H2,1-9H3.
What are the key properties of 2,5-bis(tert-butylperoxy)-2-methylhexane?
2,5-bis(tert-butylperoxy)-2-methylhexane has a molecular weight of 276.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylperoxy)-2-methylhexane is sourced from PubChem (CID 22255865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).