carbonic acid;hydrogen carbonate;tetramethylazanium

C6H15NO6 — CID 175144739

IUPACcarbonic acid;hydrogen carbonate;tetramethylazanium
SMILESC[N+](C)(C)C.O=C(O)O.O=C([O-])O
InChIInChI=1S/C4H12N.2CH2O3/c1-5(2,3)4;2*2-1(3)4/h1-4H3;2*(H2,2,3,4)/q+1;;/p-1
InChIKeyOKKAOBGTWYWQHA-UHFFFAOYSA-M
MW197.19 g/mol
LogP-0.57
Rot. Bonds

About carbonic acid;hydrogen carbonate;tetramethylazanium

carbonic acid;hydrogen carbonate;tetramethylazanium (PubChem CID 175144739) has the molecular formula C6H15NO6 and a molecular weight of 197.19 g/mol. Its IUPAC name is carbonic acid;hydrogen carbonate;tetramethylazanium.

Molecular Properties

Compound Namecarbonic acid;hydrogen carbonate;tetramethylazanium
PubChem CID175144739
Molecular FormulaC6H15NO6
Molecular Weight197.19 g/mol
Exact Mass197.09
IUPAC Namecarbonic acid;hydrogen carbonate;tetramethylazanium
SMILESC[N+](C)(C)C.O=C(O)O.O=C([O-])O
InChIInChI=1S/C4H12N.2CH2O3/c1-5(2,3)4;2*2-1(3)4/h1-4H3;2*(H2,2,3,4)/q+1;;/p-1
InChIKeyOKKAOBGTWYWQHA-UHFFFAOYSA-M
XLogP-0.57
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;hydrogen carbonate;tetramethylazanium?
The IUPAC name of carbonic acid;hydrogen carbonate;tetramethylazanium (CID 175144739) is carbonic acid;hydrogen carbonate;tetramethylazanium.
What is the SMILES notation for carbonic acid;hydrogen carbonate;tetramethylazanium?
The canonical SMILES for carbonic acid;hydrogen carbonate;tetramethylazanium is C[N+](C)(C)C.O=C(O)O.O=C([O-])O.
What is the InChIKey of carbonic acid;hydrogen carbonate;tetramethylazanium?
The InChIKey is OKKAOBGTWYWQHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.2CH2O3/c1-5(2,3)4;2*2-1(3)4/h1-4H3;2*(H2,2,3,4)/q+1;;/p-1.
What are the key properties of carbonic acid;hydrogen carbonate;tetramethylazanium?
carbonic acid;hydrogen carbonate;tetramethylazanium has a molecular weight of 197.19 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;hydrogen carbonate;tetramethylazanium is sourced from PubChem (CID 175144739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).