dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium

C17H36NO2+ — CID 12573210

IUPACdodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(2,3)16-17(19)20-4/h5-16H2,1-4H3/q+1
InChIKeyKBIJJXFMHLEXJG-UHFFFAOYSA-N
MW286.48 g/mol
LogP4.16
Rot. Bonds13

About dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium

dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium (PubChem CID 12573210) has the molecular formula C17H36NO2+ and a molecular weight of 286.48 g/mol. Its IUPAC name is dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium.

Molecular Properties

Compound Namedodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium
PubChem CID12573210
Molecular FormulaC17H36NO2+
Molecular Weight286.48 g/mol
Exact Mass286.27
IUPAC Namedodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CC(=O)OC
InChIInChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(2,3)16-17(19)20-4/h5-16H2,1-4H3/q+1
InChIKeyKBIJJXFMHLEXJG-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl)-dimethyl-tetradecylazanium
CID 12573214
dimethyl(dioctadecyl)azanium;methyl octadecanoate
CID 19424818
3-(heptadecanoylamino)propyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 118501458
carboxymethyl-docosyl-dimethylazanium
CID 21149404
(11-methoxy-11-oxoundecyl)-dimethyl-tetradecylazanium bromide
CID 22755533
(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium chloride
CID 156594940
carboxymethyl-hexadecyl-dimethylazanium chloride
CID 21069695
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913
2-[dodecyl(dimethyl)azaniumyl]acetate
CID 172850444
hexyl-bis(11-methoxy-11-oxoundecyl)-methylazanium
CID 127032742
[2-[6-[[2-[dimethyl(octyl)azaniumyl]acetyl]amino]hexylamino]-2-oxoethyl]-dimethyl-octylazanium
CID 122212878
12-[dimethyl-[2-(octylamino)-2-oxoethyl]azaniumyl]dodecyl-dimethyl-[2-(octylamino)-2-oxoethyl]azanium
CID 134154384

Frequently Asked Questions

What is the IUPAC name of dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium?
The IUPAC name of dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium (CID 12573210) is dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium.
What is the SMILES notation for dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium?
The canonical SMILES for dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)CC(=O)OC.
What is the InChIKey of dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium?
The InChIKey is KBIJJXFMHLEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(2,3)16-17(19)20-4/h5-16H2,1-4H3/q+1.
What are the key properties of dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium?
dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium has a molecular weight of 286.48 g/mol, XLogP of 4.16, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-(2-methoxy-2-oxoethyl)-dimethylazanium is sourced from PubChem (CID 12573210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).