hydron;2-hydroxyethyl(trimethyl)azanium;carbonate

C6H15NO4 — CID 22116670

IUPAChydron;2-hydroxyethyl(trimethyl)azanium;carbonate
SMILESC[N+](C)(C)CCO.O=C([O-])[O-].[H+]
InChIInChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKeyDQKGOGJIOHUEGK-UHFFFAOYSA-M
MW165.19 g/mol
LogP-2.65
Rot. Bonds2

About hydron;2-hydroxyethyl(trimethyl)azanium;carbonate

hydron;2-hydroxyethyl(trimethyl)azanium;carbonate (PubChem CID 22116670) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is hydron;2-hydroxyethyl(trimethyl)azanium;carbonate.

Molecular Properties

Compound Namehydron;2-hydroxyethyl(trimethyl)azanium;carbonate
PubChem CID22116670
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Namehydron;2-hydroxyethyl(trimethyl)azanium;carbonate
SMILESC[N+](C)(C)CCO.O=C([O-])[O-].[H+]
InChIInChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
InChIKeyDQKGOGJIOHUEGK-UHFFFAOYSA-M
XLogP-2.65
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-2.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxyethyl(trimethyl)azanium;carbonate?
The IUPAC name of hydron;2-hydroxyethyl(trimethyl)azanium;carbonate (CID 22116670) is hydron;2-hydroxyethyl(trimethyl)azanium;carbonate.
What is the SMILES notation for hydron;2-hydroxyethyl(trimethyl)azanium;carbonate?
The canonical SMILES for hydron;2-hydroxyethyl(trimethyl)azanium;carbonate is C[N+](C)(C)CCO.O=C([O-])[O-].[H+].
What is the InChIKey of hydron;2-hydroxyethyl(trimethyl)azanium;carbonate?
The InChIKey is DQKGOGJIOHUEGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1.
What are the key properties of hydron;2-hydroxyethyl(trimethyl)azanium;carbonate?
hydron;2-hydroxyethyl(trimethyl)azanium;carbonate has a molecular weight of 165.19 g/mol, XLogP of -2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxyethyl(trimethyl)azanium;carbonate is sourced from PubChem (CID 22116670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).