tert-butyl(2-phenoxypentan-2-yl)diazene

C15H24N2O — CID 173463425

IUPACtert-butyl(2-phenoxypentan-2-yl)diazene
SMILESCCCC(C)(/N=N/C(C)(C)C)Oc1ccccc1
InChIInChI=1S/C15H24N2O/c1-6-12-15(5,17-16-14(2,3)4)18-13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3/b17-16+
InChIKeyXRWQKAKBAWWFRJ-WUKNDPDISA-N
MW248.37 g/mol
LogP4.83
Rot. Bonds5

About tert-butyl(2-phenoxypentan-2-yl)diazene

tert-butyl(2-phenoxypentan-2-yl)diazene (PubChem CID 173463425) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is tert-butyl(2-phenoxypentan-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl(2-phenoxypentan-2-yl)diazene
PubChem CID173463425
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nametert-butyl(2-phenoxypentan-2-yl)diazene
SMILESCCCC(C)(/N=N/C(C)(C)C)Oc1ccccc1
InChIInChI=1S/C15H24N2O/c1-6-12-15(5,17-16-14(2,3)4)18-13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3/b17-16+
InChIKeyXRWQKAKBAWWFRJ-WUKNDPDISA-N
XLogP4.83
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(4-tert-butylperoxy-4-methyl-2-phenoxypentan-2-yl)diazene
CID 21429792
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2-phenoxybutan-2-ylphosphane
CID 89070581
2-methylpentan-2-ylperoxybenzene
CID 22765784
2-fluoro-2-phenoxypentanoic acid
CID 70113612
2-(1,1-diphenoxybutyl)phenol
CID 66866351
3-phenoxyhex-1-en-3-ol
CID 69380942
1,1-diphenoxydecoxybenzene
CID 150135541
3-methyl-3-phenoxybutan-1-ol
CID 59317089
3-methyloct-1-yn-3-yloxybenzene
CID 10398427
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563

Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-phenoxypentan-2-yl)diazene?
The IUPAC name of tert-butyl(2-phenoxypentan-2-yl)diazene (CID 173463425) is tert-butyl(2-phenoxypentan-2-yl)diazene.
What is the SMILES notation for tert-butyl(2-phenoxypentan-2-yl)diazene?
The canonical SMILES for tert-butyl(2-phenoxypentan-2-yl)diazene is CCCC(C)(/N=N/C(C)(C)C)Oc1ccccc1.
What is the InChIKey of tert-butyl(2-phenoxypentan-2-yl)diazene?
The InChIKey is XRWQKAKBAWWFRJ-WUKNDPDISA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-12-15(5,17-16-14(2,3)4)18-13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3/b17-16+.
What are the key properties of tert-butyl(2-phenoxypentan-2-yl)diazene?
tert-butyl(2-phenoxypentan-2-yl)diazene has a molecular weight of 248.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-phenoxypentan-2-yl)diazene is sourced from PubChem (CID 173463425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).