tert-butyl-(1-methoxy-1-phenylethyl)diazene

C13H20N2O — CID 14685408

IUPACtert-butyl-(1-methoxy-1-phenylethyl)diazene
SMILESCOC(C)(/N=N/C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-12(2,3)14-15-13(4,16-5)11-9-7-6-8-10-11/h6-10H,1-5H3/b15-14+
InChIKeyNGVULKASCZHTOP-CCEZHUSRSA-N
MW220.32 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl-(1-methoxy-1-phenylethyl)diazene

tert-butyl-(1-methoxy-1-phenylethyl)diazene (PubChem CID 14685408) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is tert-butyl-(1-methoxy-1-phenylethyl)diazene.

Molecular Properties

Compound Nametert-butyl-(1-methoxy-1-phenylethyl)diazene
PubChem CID14685408
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nametert-butyl-(1-methoxy-1-phenylethyl)diazene
SMILESCOC(C)(/N=N/C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-12(2,3)14-15-13(4,16-5)11-9-7-6-8-10-11/h6-10H,1-5H3/b15-14+
InChIKeyNGVULKASCZHTOP-CCEZHUSRSA-N
XLogP3.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-methoxy-1-phenylethyl)diazene?
The IUPAC name of tert-butyl-(1-methoxy-1-phenylethyl)diazene (CID 14685408) is tert-butyl-(1-methoxy-1-phenylethyl)diazene.
What is the SMILES notation for tert-butyl-(1-methoxy-1-phenylethyl)diazene?
The canonical SMILES for tert-butyl-(1-methoxy-1-phenylethyl)diazene is COC(C)(/N=N/C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-(1-methoxy-1-phenylethyl)diazene?
The InChIKey is NGVULKASCZHTOP-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(2,3)14-15-13(4,16-5)11-9-7-6-8-10-11/h6-10H,1-5H3/b15-14+.
What are the key properties of tert-butyl-(1-methoxy-1-phenylethyl)diazene?
tert-butyl-(1-methoxy-1-phenylethyl)diazene has a molecular weight of 220.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-methoxy-1-phenylethyl)diazene is sourced from PubChem (CID 14685408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).