tetraethylazanium;hydroxide;tetrahydrate

C8H29NO5 — CID 72941472

IUPACtetraethylazanium;hydroxide;tetrahydrate
SMILESCC[N+](CC)(CC)CC.O.O.O.O.[OH-]
InChIInChI=1S/C8H20N.5H2O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;5*1H2/q+1;;;;;/p-1
InChIKeyJJUUWCZTRASGHK-UHFFFAOYSA-M
MW219.32 g/mol
LogP-1.59
Rot. Bonds4

About tetraethylazanium;hydroxide;tetrahydrate

tetraethylazanium;hydroxide;tetrahydrate (PubChem CID 72941472) has the molecular formula C8H29NO5 and a molecular weight of 219.32 g/mol. Its IUPAC name is tetraethylazanium;hydroxide;tetrahydrate.

Molecular Properties

Compound Nametetraethylazanium;hydroxide;tetrahydrate
PubChem CID72941472
Molecular FormulaC8H29NO5
Molecular Weight219.32 g/mol
Exact Mass219.20
IUPAC Nametetraethylazanium;hydroxide;tetrahydrate
SMILESCC[N+](CC)(CC)CC.O.O.O.O.[OH-]
InChIInChI=1S/C8H20N.5H2O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;5*1H2/q+1;;;;;/p-1
InChIKeyJJUUWCZTRASGHK-UHFFFAOYSA-M
XLogP-1.59
TPSA156.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 5-1.59
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;tetrahydrate?
The IUPAC name of tetraethylazanium;hydroxide;tetrahydrate (CID 72941472) is tetraethylazanium;hydroxide;tetrahydrate.
What is the SMILES notation for tetraethylazanium;hydroxide;tetrahydrate?
The canonical SMILES for tetraethylazanium;hydroxide;tetrahydrate is CC[N+](CC)(CC)CC.O.O.O.O.[OH-].
What is the InChIKey of tetraethylazanium;hydroxide;tetrahydrate?
The InChIKey is JJUUWCZTRASGHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.5H2O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;5*1H2/q+1;;;;;/p-1.
What are the key properties of tetraethylazanium;hydroxide;tetrahydrate?
tetraethylazanium;hydroxide;tetrahydrate has a molecular weight of 219.32 g/mol, XLogP of -1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;hydroxide;tetrahydrate is sourced from PubChem (CID 72941472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).