carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium

C7H17NO7 — CID 173335741

IUPACcarbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C(O)O.O=C([O-])O
InChIInChI=1S/C5H14NO.2CH2O3/c1-6(2,3)4-5-7;2*2-1(3)4/h7H,4-5H2,1-3H3;2*(H2,2,3,4)/q+1;;/p-1
InChIKeyHQUNPSWHTQCKMT-UHFFFAOYSA-M
MW227.21 g/mol
LogP-1.21
Rot. Bonds2

About carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium

carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 173335741) has the molecular formula C7H17NO7 and a molecular weight of 227.21 g/mol. Its IUPAC name is carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namecarbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
PubChem CID173335741
Molecular FormulaC7H17NO7
Molecular Weight227.21 g/mol
Exact Mass227.10
IUPAC Namecarbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=C(O)O.O=C([O-])O
InChIInChI=1S/C5H14NO.2CH2O3/c1-6(2,3)4-5-7;2*2-1(3)4/h7H,4-5H2,1-3H3;2*(H2,2,3,4)/q+1;;/p-1
InChIKeyHQUNPSWHTQCKMT-UHFFFAOYSA-M
XLogP-1.21
TPSA138.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
CID 23615624
butanedioate;2-hydroxyethyl(trimethyl)azanium
CID 87766528
2,2-dimethylpropanoate;2-hydroxyethyl(trimethyl)azanium
CID 21472941
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;2-hydroxypropanoate
CID 10313496
2-hydroxyethyl(trimethyl)azanium;4-hydroxy-4-oxobutanoate;hydroiodide
CID 21127322
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745

Frequently Asked Questions

What is the IUPAC name of carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium (CID 173335741) is carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=C(O)O.O=C([O-])O.
What is the InChIKey of carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is HQUNPSWHTQCKMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.2CH2O3/c1-6(2,3)4-5-7;2*2-1(3)4/h7H,4-5H2,1-3H3;2*(H2,2,3,4)/q+1;;/p-1.
What are the key properties of carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium?
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 227.21 g/mol, XLogP of -1.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 173335741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).