tetraethylazanium;acetate;tetrahydrate

C10H31NO6 — CID 2724098

IUPACtetraethylazanium;acetate;tetrahydrate
SMILESCC(=O)[O-].CC[N+](CC)(CC)CC.O.O.O.O
InChIInChI=1S/C8H20N.C2H4O2.4H2O/c1-5-9(6-2,7-3)8-4;1-2(3)4;;;;/h5-8H2,1-4H3;1H3,(H,3,4);4*1H2/q+1;;;;;/p-1
InChIKeyQNOAKQGNSWGYOE-UHFFFAOYSA-M
MW261.36 g/mol
LogP-2.66
Rot. Bonds4

About tetraethylazanium;acetate;tetrahydrate

tetraethylazanium;acetate;tetrahydrate (PubChem CID 2724098) has the molecular formula C10H31NO6 and a molecular weight of 261.36 g/mol. Its IUPAC name is tetraethylazanium;acetate;tetrahydrate.

Molecular Properties

Compound Nametetraethylazanium;acetate;tetrahydrate
PubChem CID2724098
Molecular FormulaC10H31NO6
Molecular Weight261.36 g/mol
Exact Mass261.22
IUPAC Nametetraethylazanium;acetate;tetrahydrate
SMILESCC(=O)[O-].CC[N+](CC)(CC)CC.O.O.O.O
InChIInChI=1S/C8H20N.C2H4O2.4H2O/c1-5-9(6-2,7-3)8-4;1-2(3)4;;;;/h5-8H2,1-4H3;1H3,(H,3,4);4*1H2/q+1;;;;;/p-1
InChIKeyQNOAKQGNSWGYOE-UHFFFAOYSA-M
XLogP-2.66
TPSA166.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;acetate;tetrahydrate?
The IUPAC name of tetraethylazanium;acetate;tetrahydrate (CID 2724098) is tetraethylazanium;acetate;tetrahydrate.
What is the SMILES notation for tetraethylazanium;acetate;tetrahydrate?
The canonical SMILES for tetraethylazanium;acetate;tetrahydrate is CC(=O)[O-].CC[N+](CC)(CC)CC.O.O.O.O.
What is the InChIKey of tetraethylazanium;acetate;tetrahydrate?
The InChIKey is QNOAKQGNSWGYOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C2H4O2.4H2O/c1-5-9(6-2,7-3)8-4;1-2(3)4;;;;/h5-8H2,1-4H3;1H3,(H,3,4);4*1H2/q+1;;;;;/p-1.
What are the key properties of tetraethylazanium;acetate;tetrahydrate?
tetraethylazanium;acetate;tetrahydrate has a molecular weight of 261.36 g/mol, XLogP of -2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;acetate;tetrahydrate is sourced from PubChem (CID 2724098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).