tetramethoxyazanium hydroxide

C4H13NO5 — CID 18504548

IUPACtetramethoxyazanium hydroxide
SMILESCO[N+](OC)(OC)OC.[OH-]
InChIInChI=1S/C4H12NO4.H2O/c1-6-5(7-2,8-3)9-4;/h1-4H3;1H2/q+1;/p-1
InChIKeyKNHNLCHRGUQAAO-UHFFFAOYSA-M
MW155.15 g/mol
LogP-0.13
Rot. Bonds4

About tetramethoxyazanium hydroxide

tetramethoxyazanium hydroxide (PubChem CID 18504548) has the molecular formula C4H13NO5 and a molecular weight of 155.15 g/mol. Its IUPAC name is tetramethoxyazanium hydroxide.

Molecular Properties

Compound Nametetramethoxyazanium hydroxide
PubChem CID18504548
Molecular FormulaC4H13NO5
Molecular Weight155.15 g/mol
Exact Mass155.08
IUPAC Nametetramethoxyazanium hydroxide
SMILESCO[N+](OC)(OC)OC.[OH-]
InChIInChI=1S/C4H12NO4.H2O/c1-6-5(7-2,8-3)9-4;/h1-4H3;1H2/q+1;/p-1
InChIKeyKNHNLCHRGUQAAO-UHFFFAOYSA-M
XLogP-0.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetramethoxyazanium hydroxide?
The IUPAC name of tetramethoxyazanium hydroxide (CID 18504548) is tetramethoxyazanium hydroxide.
What is the SMILES notation for tetramethoxyazanium hydroxide?
The canonical SMILES for tetramethoxyazanium hydroxide is CO[N+](OC)(OC)OC.[OH-].
What is the InChIKey of tetramethoxyazanium hydroxide?
The InChIKey is KNHNLCHRGUQAAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO4.H2O/c1-6-5(7-2,8-3)9-4;/h1-4H3;1H2/q+1;/p-1.
What are the key properties of tetramethoxyazanium hydroxide?
tetramethoxyazanium hydroxide has a molecular weight of 155.15 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethoxyazanium hydroxide is sourced from PubChem (CID 18504548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).