tetraethylazanium;hydroxide;pentahydrate

C8H31NO6 — CID 19390379

IUPACtetraethylazanium;hydroxide;pentahydrate
SMILESCC[N+](CC)(CC)CC.O.O.O.O.O.[OH-]
InChIInChI=1S/C8H20N.6H2O/c1-5-9(6-2,7-3)8-4;;;;;;/h5-8H2,1-4H3;6*1H2/q+1;;;;;;/p-1
InChIKeyVJMLWEUEMHMTTG-UHFFFAOYSA-M
MW237.34 g/mol
LogP-2.42
Rot. Bonds4

About tetraethylazanium;hydroxide;pentahydrate

tetraethylazanium;hydroxide;pentahydrate (PubChem CID 19390379) has the molecular formula C8H31NO6 and a molecular weight of 237.34 g/mol. Its IUPAC name is tetraethylazanium;hydroxide;pentahydrate.

Molecular Properties

Compound Nametetraethylazanium;hydroxide;pentahydrate
PubChem CID19390379
Molecular FormulaC8H31NO6
Molecular Weight237.34 g/mol
Exact Mass237.22
IUPAC Nametetraethylazanium;hydroxide;pentahydrate
SMILESCC[N+](CC)(CC)CC.O.O.O.O.O.[OH-]
InChIInChI=1S/C8H20N.6H2O/c1-5-9(6-2,7-3)8-4;;;;;;/h5-8H2,1-4H3;6*1H2/q+1;;;;;;/p-1
InChIKeyVJMLWEUEMHMTTG-UHFFFAOYSA-M
XLogP-2.42
TPSA187.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 5-2.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tetraethylazanium;hydroxide;pentahydrate?
The IUPAC name of tetraethylazanium;hydroxide;pentahydrate (CID 19390379) is tetraethylazanium;hydroxide;pentahydrate.
What is the SMILES notation for tetraethylazanium;hydroxide;pentahydrate?
The canonical SMILES for tetraethylazanium;hydroxide;pentahydrate is CC[N+](CC)(CC)CC.O.O.O.O.O.[OH-].
What is the InChIKey of tetraethylazanium;hydroxide;pentahydrate?
The InChIKey is VJMLWEUEMHMTTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.6H2O/c1-5-9(6-2,7-3)8-4;;;;;;/h5-8H2,1-4H3;6*1H2/q+1;;;;;;/p-1.
What are the key properties of tetraethylazanium;hydroxide;pentahydrate?
tetraethylazanium;hydroxide;pentahydrate has a molecular weight of 237.34 g/mol, XLogP of -2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;hydroxide;pentahydrate is sourced from PubChem (CID 19390379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).