ethoxymethyl-ethyl-dimethylazanium chloride

C7H18ClNO — CID 14619871

IUPACethoxymethyl-ethyl-dimethylazanium chloride
SMILESCCOC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C7H18NO.ClH/c1-5-8(3,4)7-9-6-2;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyAKKFKCBBTQQSJL-UHFFFAOYSA-M
MW167.68 g/mol
LogP-1.92
Rot. Bonds4

About ethoxymethyl-ethyl-dimethylazanium chloride

ethoxymethyl-ethyl-dimethylazanium chloride (PubChem CID 14619871) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is ethoxymethyl-ethyl-dimethylazanium chloride.

Molecular Properties

Compound Nameethoxymethyl-ethyl-dimethylazanium chloride
PubChem CID14619871
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Nameethoxymethyl-ethyl-dimethylazanium chloride
SMILESCCOC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C7H18NO.ClH/c1-5-8(3,4)7-9-6-2;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyAKKFKCBBTQQSJL-UHFFFAOYSA-M
XLogP-1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 5-1.92
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-ethyl-dimethylazanium chloride?
The IUPAC name of ethoxymethyl-ethyl-dimethylazanium chloride (CID 14619871) is ethoxymethyl-ethyl-dimethylazanium chloride.
What is the SMILES notation for ethoxymethyl-ethyl-dimethylazanium chloride?
The canonical SMILES for ethoxymethyl-ethyl-dimethylazanium chloride is CCOC[N+](C)(C)CC.[Cl-].
What is the InChIKey of ethoxymethyl-ethyl-dimethylazanium chloride?
The InChIKey is AKKFKCBBTQQSJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.ClH/c1-5-8(3,4)7-9-6-2;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of ethoxymethyl-ethyl-dimethylazanium chloride?
ethoxymethyl-ethyl-dimethylazanium chloride has a molecular weight of 167.68 g/mol, XLogP of -1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl-ethyl-dimethylazanium chloride is sourced from PubChem (CID 14619871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).