2-methoxyethyl-dimethyl-(2-oxopropyl)azanium

C8H18NO2+ — CID 163394784

IUPAC2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
SMILESCOCC[N+](C)(C)CC(C)=O
InChIInChI=1S/C8H18NO2/c1-8(10)7-9(2,3)5-6-11-4/h5-7H2,1-4H3/q+1
InChIKeyOVTHZHJKFSRWRQ-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.30
Rot. Bonds5

About 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium

2-methoxyethyl-dimethyl-(2-oxopropyl)azanium (PubChem CID 163394784) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium.

Molecular Properties

Compound Name2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
PubChem CID163394784
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
SMILESCOCC[N+](C)(C)CC(C)=O
InChIInChI=1S/C8H18NO2/c1-8(10)7-9(2,3)5-6-11-4/h5-7H2,1-4H3/q+1
InChIKeyOVTHZHJKFSRWRQ-UHFFFAOYSA-N
XLogP0.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
CID 146852079
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 146629304
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
dimethyl-bis[2-(3-oxobutanoyloxy)ethyl]azanium
CID 162501246
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
bis(1-hydroxypropan-2-one);2-methoxyethanol
CID 88639054

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium?
The IUPAC name of 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium (CID 163394784) is 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium.
What is the SMILES notation for 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium?
The canonical SMILES for 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium is COCC[N+](C)(C)CC(C)=O.
What is the InChIKey of 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium?
The InChIKey is OVTHZHJKFSRWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-8(10)7-9(2,3)5-6-11-4/h5-7H2,1-4H3/q+1.
What are the key properties of 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium?
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium has a molecular weight of 160.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-dimethyl-(2-oxopropyl)azanium is sourced from PubChem (CID 163394784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).