tetramethoxyazanium;hydroxide;pentahydrate

C4H23NO10 — CID 169084209

IUPACtetramethoxyazanium;hydroxide;pentahydrate
SMILESCO[N+](OC)(OC)OC.O.O.O.O.O.[OH-]
InChIInChI=1S/C4H12NO4.6H2O/c1-6-5(7-2,8-3)9-4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1
InChIKeySTWXPLRLHFJJSP-UHFFFAOYSA-M
MW245.22 g/mol
LogP-4.25
Rot. Bonds4

About tetramethoxyazanium;hydroxide;pentahydrate

tetramethoxyazanium;hydroxide;pentahydrate (PubChem CID 169084209) has the molecular formula C4H23NO10 and a molecular weight of 245.22 g/mol. Its IUPAC name is tetramethoxyazanium;hydroxide;pentahydrate.

Molecular Properties

Compound Nametetramethoxyazanium;hydroxide;pentahydrate
PubChem CID169084209
Molecular FormulaC4H23NO10
Molecular Weight245.22 g/mol
Exact Mass245.13
IUPAC Nametetramethoxyazanium;hydroxide;pentahydrate
SMILESCO[N+](OC)(OC)OC.O.O.O.O.O.[OH-]
InChIInChI=1S/C4H12NO4.6H2O/c1-6-5(7-2,8-3)9-4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1
InChIKeySTWXPLRLHFJJSP-UHFFFAOYSA-M
XLogP-4.25
TPSA224.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-4.25
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;pentahydrate?
The IUPAC name of tetramethoxyazanium;hydroxide;pentahydrate (CID 169084209) is tetramethoxyazanium;hydroxide;pentahydrate.
What is the SMILES notation for tetramethoxyazanium;hydroxide;pentahydrate?
The canonical SMILES for tetramethoxyazanium;hydroxide;pentahydrate is CO[N+](OC)(OC)OC.O.O.O.O.O.[OH-].
What is the InChIKey of tetramethoxyazanium;hydroxide;pentahydrate?
The InChIKey is STWXPLRLHFJJSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO4.6H2O/c1-6-5(7-2,8-3)9-4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1.
What are the key properties of tetramethoxyazanium;hydroxide;pentahydrate?
tetramethoxyazanium;hydroxide;pentahydrate has a molecular weight of 245.22 g/mol, XLogP of -4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethoxyazanium;hydroxide;pentahydrate is sourced from PubChem (CID 169084209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).