tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene

C8H18N2O — CID 11309685

IUPACtert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene
SMILES[2H]C([2H])([2H])OC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(2,3)9-10-8(4,5)11-6/h1-6H3/b10-9+/i6D3
InChIKeyIPDHCVXNQJXJQJ-MAIPDBKNSA-N
MW161.26 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene

tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene (PubChem CID 11309685) has the molecular formula C8H18N2O and a molecular weight of 161.26 g/mol. Its IUPAC name is tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene.

Molecular Properties

Compound Nametert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene
PubChem CID11309685
Molecular FormulaC8H18N2O
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Nametert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene
SMILES[2H]C([2H])([2H])OC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-7(2,3)9-10-8(4,5)11-6/h1-6H3/b10-9+/i6D3
InChIKeyIPDHCVXNQJXJQJ-MAIPDBKNSA-N
XLogP2.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.62
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-[2-(trideuteriomethoxy)propan-2-yl]diazene?
The IUPAC name of tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene (CID 11309685) is tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene.
What is the SMILES notation for tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene?
The canonical SMILES for tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene is [2H]C([2H])([2H])OC(C)(C)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene?
The InChIKey is IPDHCVXNQJXJQJ-MAIPDBKNSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2,3)9-10-8(4,5)11-6/h1-6H3/b10-9+/i6D3.
What are the key properties of tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene?
tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene has a molecular weight of 161.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(trideuteriomethoxy)propan-2-yl]diazene is sourced from PubChem (CID 11309685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).