ethoxymethyl(triethyl)azanium

C9H22NO+ — CID 3026620

IUPACethoxymethyl(triethyl)azanium
SMILESCCOC[N+](CC)(CC)CC
InChIInChI=1S/C9H22NO/c1-5-10(6-2,7-3)9-11-8-4/h5-9H2,1-4H3/q+1
InChIKeyIKXAGLHOBMLMFG-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.86
Rot. Bonds6

About ethoxymethyl(triethyl)azanium

ethoxymethyl(triethyl)azanium (PubChem CID 3026620) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is ethoxymethyl(triethyl)azanium.

Molecular Properties

Compound Nameethoxymethyl(triethyl)azanium
PubChem CID3026620
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Nameethoxymethyl(triethyl)azanium
SMILESCCOC[N+](CC)(CC)CC
InChIInChI=1S/C9H22NO/c1-5-10(6-2,7-3)9-11-8-4/h5-9H2,1-4H3/q+1
InChIKeyIKXAGLHOBMLMFG-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethoxymethyl(triethyl)azanium?
The IUPAC name of ethoxymethyl(triethyl)azanium (CID 3026620) is ethoxymethyl(triethyl)azanium.
What is the SMILES notation for ethoxymethyl(triethyl)azanium?
The canonical SMILES for ethoxymethyl(triethyl)azanium is CCOC[N+](CC)(CC)CC.
What is the InChIKey of ethoxymethyl(triethyl)azanium?
The InChIKey is IKXAGLHOBMLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-5-10(6-2,7-3)9-11-8-4/h5-9H2,1-4H3/q+1.
What are the key properties of ethoxymethyl(triethyl)azanium?
ethoxymethyl(triethyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl(triethyl)azanium is sourced from PubChem (CID 3026620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).