ethoxymethyl(triethyl)azanium iodide

C9H22INO — CID 3026619

IUPACethoxymethyl(triethyl)azanium iodide
SMILESCCOC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C9H22NO.HI/c1-5-10(6-2,7-3)9-11-8-4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyXKJCXIILZAGJOK-UHFFFAOYSA-M
MW287.19 g/mol
LogP-1.14
Rot. Bonds6

About ethoxymethyl(triethyl)azanium iodide

ethoxymethyl(triethyl)azanium iodide (PubChem CID 3026619) has the molecular formula C9H22INO and a molecular weight of 287.19 g/mol. Its IUPAC name is ethoxymethyl(triethyl)azanium iodide.

Molecular Properties

Compound Nameethoxymethyl(triethyl)azanium iodide
PubChem CID3026619
Molecular FormulaC9H22INO
Molecular Weight287.19 g/mol
Exact Mass287.07
IUPAC Nameethoxymethyl(triethyl)azanium iodide
SMILESCCOC[N+](CC)(CC)CC.[I-]
InChIInChI=1S/C9H22NO.HI/c1-5-10(6-2,7-3)9-11-8-4;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyXKJCXIILZAGJOK-UHFFFAOYSA-M
XLogP-1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 5-1.14
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': 'iodine', '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 iodide?
The IUPAC name of ethoxymethyl(triethyl)azanium iodide (CID 3026619) is ethoxymethyl(triethyl)azanium iodide.
What is the SMILES notation for ethoxymethyl(triethyl)azanium iodide?
The canonical SMILES for ethoxymethyl(triethyl)azanium iodide is CCOC[N+](CC)(CC)CC.[I-].
What is the InChIKey of ethoxymethyl(triethyl)azanium iodide?
The InChIKey is XKJCXIILZAGJOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NO.HI/c1-5-10(6-2,7-3)9-11-8-4;/h5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of ethoxymethyl(triethyl)azanium iodide?
ethoxymethyl(triethyl)azanium iodide has a molecular weight of 287.19 g/mol, XLogP of -1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl(triethyl)azanium iodide is sourced from PubChem (CID 3026619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).