tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene

C20H34N2O3 — CID 21429792

IUPACtert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene
SMILESCC(C)(C)/N=N/C(C)(CC(C)(C)OOC(C)(C)C)Oc1ccccc1
InChIInChI=1S/C20H34N2O3/c1-17(2,3)21-22-20(9,23-16-13-11-10-12-14-16)15-19(7,8)25-24-18(4,5)6/h10-14H,15H2,1-9H3/b22-21+
InChIKeyWYEZFHUHBYHVFI-QURGRASLSA-N
MW350.50 g/mol
LogP5.95
Rot. Bonds7

About tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene

tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene (PubChem CID 21429792) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene
PubChem CID21429792
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nametert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene
SMILESCC(C)(C)/N=N/C(C)(CC(C)(C)OOC(C)(C)C)Oc1ccccc1
InChIInChI=1S/C20H34N2O3/c1-17(2,3)21-22-20(9,23-16-13-11-10-12-14-16)15-19(7,8)25-24-18(4,5)6/h10-14H,15H2,1-9H3/b22-21+
InChIKeyWYEZFHUHBYHVFI-QURGRASLSA-N
XLogP5.95
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene 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 tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene?
The IUPAC name of tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene (CID 21429792) is tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene.
What is the SMILES notation for tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene?
The canonical SMILES for tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene is CC(C)(C)/N=N/C(C)(CC(C)(C)OOC(C)(C)C)Oc1ccccc1.
What is the InChIKey of tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene?
The InChIKey is WYEZFHUHBYHVFI-QURGRASLSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-17(2,3)21-22-20(9,23-16-13-11-10-12-14-16)15-19(7,8)25-24-18(4,5)6/h10-14H,15H2,1-9H3/b22-21+.
What are the key properties of tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene?
tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene has a molecular weight of 350.50 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene is sourced from PubChem (CID 21429792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).