ethoxymethyl(trimethyl)azanium chloride

C6H16ClNO — CID 12769742

IUPACethoxymethyl(trimethyl)azanium chloride
SMILESCCOC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16NO.ClH/c1-5-8-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyUHOOUCJMQVSUIF-UHFFFAOYSA-M
MW153.65 g/mol
LogP-2.31
Rot. Bonds3

About ethoxymethyl(trimethyl)azanium chloride

ethoxymethyl(trimethyl)azanium chloride (PubChem CID 12769742) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is ethoxymethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Nameethoxymethyl(trimethyl)azanium chloride
PubChem CID12769742
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Nameethoxymethyl(trimethyl)azanium chloride
SMILESCCOC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16NO.ClH/c1-5-8-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyUHOOUCJMQVSUIF-UHFFFAOYSA-M
XLogP-2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 5-2.31
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(trimethyl)azanium chloride?
The IUPAC name of ethoxymethyl(trimethyl)azanium chloride (CID 12769742) is ethoxymethyl(trimethyl)azanium chloride.
What is the SMILES notation for ethoxymethyl(trimethyl)azanium chloride?
The canonical SMILES for ethoxymethyl(trimethyl)azanium chloride is CCOC[N+](C)(C)C.[Cl-].
What is the InChIKey of ethoxymethyl(trimethyl)azanium chloride?
The InChIKey is UHOOUCJMQVSUIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.ClH/c1-5-8-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of ethoxymethyl(trimethyl)azanium chloride?
ethoxymethyl(trimethyl)azanium chloride has a molecular weight of 153.65 g/mol, XLogP of -2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl(trimethyl)azanium chloride is sourced from PubChem (CID 12769742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).