2,2-diethoxyethyl(trimethyl)azanium hydroxide

C9H23NO3 — CID 18466370

IUPAC2,2-diethoxyethyl(trimethyl)azanium hydroxide
SMILESCCOC(C[N+](C)(C)C)OCC.[OH-]
InChIInChI=1S/C9H22NO2.H2O/c1-6-11-9(12-7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeyRTBQJKRQDSGZEI-UHFFFAOYSA-M
MW193.29 g/mol
LogP0.91
Rot. Bonds6

About 2,2-diethoxyethyl(trimethyl)azanium hydroxide

2,2-diethoxyethyl(trimethyl)azanium hydroxide (PubChem CID 18466370) has the molecular formula C9H23NO3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,2-diethoxyethyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2,2-diethoxyethyl(trimethyl)azanium hydroxide
PubChem CID18466370
Molecular FormulaC9H23NO3
Molecular Weight193.29 g/mol
Exact Mass193.17
IUPAC Name2,2-diethoxyethyl(trimethyl)azanium hydroxide
SMILESCCOC(C[N+](C)(C)C)OCC.[OH-]
InChIInChI=1S/C9H22NO2.H2O/c1-6-11-9(12-7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H2/q+1;/p-1
InChIKeyRTBQJKRQDSGZEI-UHFFFAOYSA-M
XLogP0.91
TPSA48.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethyl(trimethyl)azanium hydroxide?
The IUPAC name of 2,2-diethoxyethyl(trimethyl)azanium hydroxide (CID 18466370) is 2,2-diethoxyethyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2,2-diethoxyethyl(trimethyl)azanium hydroxide?
The canonical SMILES for 2,2-diethoxyethyl(trimethyl)azanium hydroxide is CCOC(C[N+](C)(C)C)OCC.[OH-].
What is the InChIKey of 2,2-diethoxyethyl(trimethyl)azanium hydroxide?
The InChIKey is RTBQJKRQDSGZEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NO2.H2O/c1-6-11-9(12-7-2)8-10(3,4)5;/h9H,6-8H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of 2,2-diethoxyethyl(trimethyl)azanium hydroxide?
2,2-diethoxyethyl(trimethyl)azanium hydroxide has a molecular weight of 193.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 18466370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).