bis(bis(2-methoxyethyl)-dimethylazanium);carbonate

C17H40N2O7 — CID 87147133

IUPACbis(bis(2-methoxyethyl)-dimethylazanium);carbonate
SMILESCOCC[N+](C)(C)CCOC.COCC[N+](C)(C)CCOC.O=C([O-])[O-]
InChIInChI=1S/2C8H20NO2.CH2O3/c2*1-9(2,5-7-10-3)6-8-11-4;2-1(3)4/h2*5-8H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyMSUGANPLTUMLSQ-UHFFFAOYSA-L
MW384.51 g/mol
LogP-1.74
Rot. Bonds12

About bis(bis(2-methoxyethyl)-dimethylazanium);carbonate

bis(bis(2-methoxyethyl)-dimethylazanium);carbonate (PubChem CID 87147133) has the molecular formula C17H40N2O7 and a molecular weight of 384.51 g/mol. Its IUPAC name is bis(bis(2-methoxyethyl)-dimethylazanium);carbonate.

Molecular Properties

Compound Namebis(bis(2-methoxyethyl)-dimethylazanium);carbonate
PubChem CID87147133
Molecular FormulaC17H40N2O7
Molecular Weight384.51 g/mol
Exact Mass384.28
IUPAC Namebis(bis(2-methoxyethyl)-dimethylazanium);carbonate
SMILESCOCC[N+](C)(C)CCOC.COCC[N+](C)(C)CCOC.O=C([O-])[O-]
InChIInChI=1S/2C8H20NO2.CH2O3/c2*1-9(2,5-7-10-3)6-8-11-4;2-1(3)4/h2*5-8H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyMSUGANPLTUMLSQ-UHFFFAOYSA-L
XLogP-1.74
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 5-1.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
hydrogen carbonate;2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium
CID 171569271
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
2-methoxyethyl-dimethyl-(2-oxopropyl)azanium
CID 163394784
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
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
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294

Frequently Asked Questions

What is the IUPAC name of bis(bis(2-methoxyethyl)-dimethylazanium);carbonate?
The IUPAC name of bis(bis(2-methoxyethyl)-dimethylazanium);carbonate (CID 87147133) is bis(bis(2-methoxyethyl)-dimethylazanium);carbonate.
What is the SMILES notation for bis(bis(2-methoxyethyl)-dimethylazanium);carbonate?
The canonical SMILES for bis(bis(2-methoxyethyl)-dimethylazanium);carbonate is COCC[N+](C)(C)CCOC.COCC[N+](C)(C)CCOC.O=C([O-])[O-].
What is the InChIKey of bis(bis(2-methoxyethyl)-dimethylazanium);carbonate?
The InChIKey is MSUGANPLTUMLSQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H20NO2.CH2O3/c2*1-9(2,5-7-10-3)6-8-11-4;2-1(3)4/h2*5-8H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(bis(2-methoxyethyl)-dimethylazanium);carbonate?
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate has a molecular weight of 384.51 g/mol, XLogP of -1.74, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(2-methoxyethyl)-dimethylazanium);carbonate is sourced from PubChem (CID 87147133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).