hydrogen carbonate;tris(1-methoxyethyl)-methylazanium

C11H25NO6 — CID 173017758

IUPAChydrogen carbonate;tris(1-methoxyethyl)-methylazanium
SMILESCOC(C)[N+](C)(C(C)OC)C(C)OC.O=C([O-])O
InChIInChI=1S/C10H24NO3.CH2O3/c1-8(12-5)11(4,9(2)13-6)10(3)14-7;2-1(3)4/h8-10H,1-7H3;(H2,2,3,4)/q+1;/p-1
InChIKeyKBYSGJMBRWZDRS-UHFFFAOYSA-M
MW267.32 g/mol
LogP0.30
Rot. Bonds6

About hydrogen carbonate;tris(1-methoxyethyl)-methylazanium

hydrogen carbonate;tris(1-methoxyethyl)-methylazanium (PubChem CID 173017758) has the molecular formula C11H25NO6 and a molecular weight of 267.32 g/mol. Its IUPAC name is hydrogen carbonate;tris(1-methoxyethyl)-methylazanium.

Molecular Properties

Compound Namehydrogen carbonate;tris(1-methoxyethyl)-methylazanium
PubChem CID173017758
Molecular FormulaC11H25NO6
Molecular Weight267.32 g/mol
Exact Mass267.17
IUPAC Namehydrogen carbonate;tris(1-methoxyethyl)-methylazanium
SMILESCOC(C)[N+](C)(C(C)OC)C(C)OC.O=C([O-])O
InChIInChI=1S/C10H24NO3.CH2O3/c1-8(12-5)11(4,9(2)13-6)10(3)14-7;2-1(3)4/h8-10H,1-7H3;(H2,2,3,4)/q+1;/p-1
InChIKeyKBYSGJMBRWZDRS-UHFFFAOYSA-M
XLogP0.30
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(1-methoxyethyl(trimethyl)azanium);oxalate
CID 87192786
carbonic acid;hydrogen carbonate;tetramethylazanium
CID 175144739
dipotassium;1,1-dimethoxyethane;carbonate
CID 174946253
1-methoxyethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 174493549
1-methoxyethyl-dimethyl-tetradecylazanium;2-methylprop-2-enoate
CID 175573015
magnesium;hydrogen carbonate;phosphinous acid
CID 174909234
2-methoxypropanoic acid;zirconium
CID 174567743
2-methoxypropanoic acid;titanium
CID 175177225
bismuth tris(2-hydroxy-2-methoxyacetate)
CID 22600203
diazanium;propan-2-olate;acetate
CID 141066617
carbonic acid;2-propan-2-yloxypropane
CID 158018053
hydrogen carbonate;mercury(2+)
CID 23147660

Frequently Asked Questions

What is the IUPAC name of hydrogen carbonate;tris(1-methoxyethyl)-methylazanium?
The IUPAC name of hydrogen carbonate;tris(1-methoxyethyl)-methylazanium (CID 173017758) is hydrogen carbonate;tris(1-methoxyethyl)-methylazanium.
What is the SMILES notation for hydrogen carbonate;tris(1-methoxyethyl)-methylazanium?
The canonical SMILES for hydrogen carbonate;tris(1-methoxyethyl)-methylazanium is COC(C)[N+](C)(C(C)OC)C(C)OC.O=C([O-])O.
What is the InChIKey of hydrogen carbonate;tris(1-methoxyethyl)-methylazanium?
The InChIKey is KBYSGJMBRWZDRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO3.CH2O3/c1-8(12-5)11(4,9(2)13-6)10(3)14-7;2-1(3)4/h8-10H,1-7H3;(H2,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen carbonate;tris(1-methoxyethyl)-methylazanium?
hydrogen carbonate;tris(1-methoxyethyl)-methylazanium has a molecular weight of 267.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen carbonate;tris(1-methoxyethyl)-methylazanium is sourced from PubChem (CID 173017758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).