molecular oxygen;tetramethylazanium

C4H12NO2+ — CID 161321715

IUPACmolecular oxygen;tetramethylazanium
SMILESC[N+](C)(C)C.O=O
InChIInChI=1S/C4H12N.O2/c1-5(2,3)4;1-2/h1-4H3;/q+1;
InChIKeyVKFPYIXLBZWSNG-UHFFFAOYSA-N
MW106.14 g/mol
LogP0.39
Rot. Bonds

About molecular oxygen;tetramethylazanium

molecular oxygen;tetramethylazanium (PubChem CID 161321715) has the molecular formula C4H12NO2+ and a molecular weight of 106.14 g/mol. Its IUPAC name is molecular oxygen;tetramethylazanium.

Molecular Properties

Compound Namemolecular oxygen;tetramethylazanium
PubChem CID161321715
Molecular FormulaC4H12NO2+
Molecular Weight106.14 g/mol
Exact Mass106.09
IUPAC Namemolecular oxygen;tetramethylazanium
SMILESC[N+](C)(C)C.O=O
InChIInChI=1S/C4H12N.O2/c1-5(2,3)4;1-2/h1-4H3;/q+1;
InChIKeyVKFPYIXLBZWSNG-UHFFFAOYSA-N
XLogP0.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molecular oxygen;tetramethylazanium?
The IUPAC name of molecular oxygen;tetramethylazanium (CID 161321715) is molecular oxygen;tetramethylazanium.
What is the SMILES notation for molecular oxygen;tetramethylazanium?
The canonical SMILES for molecular oxygen;tetramethylazanium is C[N+](C)(C)C.O=O.
What is the InChIKey of molecular oxygen;tetramethylazanium?
The InChIKey is VKFPYIXLBZWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.O2/c1-5(2,3)4;1-2/h1-4H3;/q+1;.
What are the key properties of molecular oxygen;tetramethylazanium?
molecular oxygen;tetramethylazanium has a molecular weight of 106.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular oxygen;tetramethylazanium is sourced from PubChem (CID 161321715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).