2-hydroxyethyl(trimethyl)azanium carbonate

C6H14NO4- — CID 22179170

IUPAC2-hydroxyethyl(trimethyl)azanium carbonate
SMILESC[N+](C)(C)CCO.O=C([O-])[O-]
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-2
InChIKeyDQKGOGJIOHUEGK-UHFFFAOYSA-L
MW164.18 g/mol
LogP-2.76
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium carbonate

2-hydroxyethyl(trimethyl)azanium carbonate (PubChem CID 22179170) has the molecular formula C6H14NO4- and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium carbonate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium carbonate
PubChem CID22179170
Molecular FormulaC6H14NO4-
Molecular Weight164.18 g/mol
Exact Mass164.09
IUPAC Name2-hydroxyethyl(trimethyl)azanium carbonate
SMILESC[N+](C)(C)CCO.O=C([O-])[O-]
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-2
InChIKeyDQKGOGJIOHUEGK-UHFFFAOYSA-L
XLogP-2.76
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-2.76
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 2-hydroxyethyl(trimethyl)azanium carbonate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium carbonate (CID 22179170) is 2-hydroxyethyl(trimethyl)azanium carbonate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium carbonate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium carbonate is C[N+](C)(C)CCO.O=C([O-])[O-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium carbonate?
The InChIKey is DQKGOGJIOHUEGK-UHFFFAOYSA-L. 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-2.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium carbonate?
2-hydroxyethyl(trimethyl)azanium carbonate has a molecular weight of 164.18 g/mol, XLogP of -2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium carbonate is sourced from PubChem (CID 22179170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).