hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium

C11H25NO6 — CID 171569271

IUPAChydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
SMILESCOCCOCC[N+](C)(C)CCOC.O=C([O-])O
InChIInChI=1S/C10H24NO3.CH2O3/c1-11(2,5-7-12-3)6-8-14-10-9-13-4;2-1(3)4/h5-10H2,1-4H3;(H2,2,3,4)/q+1;/p-1
InChIKeySVFUODLNNLJNHZ-UHFFFAOYSA-M
MW267.32 g/mol
LogP-0.74
Rot. Bonds9

About hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium

hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium (PubChem CID 171569271) has the molecular formula C11H25NO6 and a molecular weight of 267.32 g/mol. Its IUPAC name is hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium.

Molecular Properties

Compound Namehydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
PubChem CID171569271
Molecular FormulaC11H25NO6
Molecular Weight267.32 g/mol
Exact Mass267.17
IUPAC Namehydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
SMILESCOCCOCC[N+](C)(C)CCOC.O=C([O-])O
InChIInChI=1S/C10H24NO3.CH2O3/c1-11(2,5-7-12-3)6-8-14-10-9-13-4;2-1(3)4/h5-10H2,1-4H3;(H2,2,3,4)/q+1;/p-1
InChIKeySVFUODLNNLJNHZ-UHFFFAOYSA-M
XLogP-0.74
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
carboxymethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium
CID 146852079
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
bis[2-[2-(2-carboxyoxyethoxycarbonyloxy)ethoxy]ethyl]-dimethylazanium chloride
CID 158209152
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium?
The IUPAC name of hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium (CID 171569271) is hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium.
What is the SMILES notation for hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium?
The canonical SMILES for hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium is COCCOCC[N+](C)(C)CCOC.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium?
The InChIKey is SVFUODLNNLJNHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO3.CH2O3/c1-11(2,5-7-12-3)6-8-14-10-9-13-4;2-1(3)4/h5-10H2,1-4H3;(H2,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium?
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium has a molecular weight of 267.32 g/mol, XLogP of -0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium is sourced from PubChem (CID 171569271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).