2-ethoxyethyl(triethyl)azanium;ethyl carbonate

C13H29NO4 — CID 167445600

IUPAC2-ethoxyethyl(triethyl)azanium;ethyl carbonate
SMILESCCOC(=O)[O-].CCOCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24NO.C3H6O3/c1-5-11(6-2,7-3)9-10-12-8-4;1-2-6-3(4)5/h5-10H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyMRGLVSPGPABCDY-UHFFFAOYSA-M
MW263.38 g/mol
LogP1.27
Rot. Bonds8

About 2-ethoxyethyl(triethyl)azanium;ethyl carbonate

2-ethoxyethyl(triethyl)azanium;ethyl carbonate (PubChem CID 167445600) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethoxyethyl(triethyl)azanium;ethyl carbonate.

Molecular Properties

Compound Name2-ethoxyethyl(triethyl)azanium;ethyl carbonate
PubChem CID167445600
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name2-ethoxyethyl(triethyl)azanium;ethyl carbonate
SMILESCCOC(=O)[O-].CCOCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24NO.C3H6O3/c1-5-11(6-2,7-3)9-10-12-8-4;1-2-6-3(4)5/h5-10H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyMRGLVSPGPABCDY-UHFFFAOYSA-M
XLogP1.27
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyethyl(triethyl)azanium;pentanoate
CID 87070975
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
diethyl-(2-methoxyethyl)-methylazanium;ethyl carbonate
CID 167445572
2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
bis(trifluoromethylsulfonyl)azanide;2-ethoxyethyl(triethyl)azanium
CID 134716438
2-acetyloxyethyl(triethyl)azanium bromide
CID 24833373
ethyl carbonate;tributyl(methyl)azanium
CID 137355967
didecyl(dimethyl)azanium;ethyl carbonate
CID 22256010
3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
triethyl-[2-(2-propoxyethoxy)ethyl]azanium
CID 88980838
ethyl acetate;triethyl(hydroxymethyl)azanium
CID 87142545
2-ethoxyethanol;ethyl acetate
CID 22463789

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl(triethyl)azanium;ethyl carbonate?
The IUPAC name of 2-ethoxyethyl(triethyl)azanium;ethyl carbonate (CID 167445600) is 2-ethoxyethyl(triethyl)azanium;ethyl carbonate.
What is the SMILES notation for 2-ethoxyethyl(triethyl)azanium;ethyl carbonate?
The canonical SMILES for 2-ethoxyethyl(triethyl)azanium;ethyl carbonate is CCOC(=O)[O-].CCOCC[N+](CC)(CC)CC.
What is the InChIKey of 2-ethoxyethyl(triethyl)azanium;ethyl carbonate?
The InChIKey is MRGLVSPGPABCDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO.C3H6O3/c1-5-11(6-2,7-3)9-10-12-8-4;1-2-6-3(4)5/h5-10H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of 2-ethoxyethyl(triethyl)azanium;ethyl carbonate?
2-ethoxyethyl(triethyl)azanium;ethyl carbonate has a molecular weight of 263.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl(triethyl)azanium;ethyl carbonate is sourced from PubChem (CID 167445600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).