tetramethoxyazanium;hydrate

C4H14NO5+ — CID 174823651

IUPACtetramethoxyazanium;hydrate
SMILESCO[N+](OC)(OC)OC.O
InChIInChI=1S/C4H12NO4.H2O/c1-6-5(7-2,8-3)9-4;/h1-4H3;1H2/q+1;
InChIKeyKNHNLCHRGUQAAO-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.78
Rot. Bonds4

About tetramethoxyazanium;hydrate

tetramethoxyazanium;hydrate (PubChem CID 174823651) has the molecular formula C4H14NO5+ and a molecular weight of 156.16 g/mol. Its IUPAC name is tetramethoxyazanium;hydrate.

Molecular Properties

Compound Nametetramethoxyazanium;hydrate
PubChem CID174823651
Molecular FormulaC4H14NO5+
Molecular Weight156.16 g/mol
Exact Mass156.09
IUPAC Nametetramethoxyazanium;hydrate
SMILESCO[N+](OC)(OC)OC.O
InChIInChI=1S/C4H12NO4.H2O/c1-6-5(7-2,8-3)9-4;/h1-4H3;1H2/q+1;
InChIKeyKNHNLCHRGUQAAO-UHFFFAOYSA-N
XLogP-0.78
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;hydrate?
The IUPAC name of tetramethoxyazanium;hydrate (CID 174823651) is tetramethoxyazanium;hydrate.
What is the SMILES notation for tetramethoxyazanium;hydrate?
The canonical SMILES for tetramethoxyazanium;hydrate is CO[N+](OC)(OC)OC.O.
What is the InChIKey of tetramethoxyazanium;hydrate?
The InChIKey is KNHNLCHRGUQAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO4.H2O/c1-6-5(7-2,8-3)9-4;/h1-4H3;1H2/q+1;.
What are the key properties of tetramethoxyazanium;hydrate?
tetramethoxyazanium;hydrate has a molecular weight of 156.16 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethoxyazanium;hydrate is sourced from PubChem (CID 174823651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).