2-hydroxyethyl(trimethyl)azanium;molecular oxygen

C5H14NO3+ — CID 87859014

IUPAC2-hydroxyethyl(trimethyl)azanium;molecular oxygen
SMILESC[N+](C)(C)CCO.O=O
InChIInChI=1S/C5H14NO.O2/c1-6(2,3)4-5-7;1-2/h7H,4-5H2,1-3H3;/q+1;
InChIKeyKIGJBZCJYJULOB-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.25
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;molecular oxygen

2-hydroxyethyl(trimethyl)azanium;molecular oxygen (PubChem CID 87859014) has the molecular formula C5H14NO3+ and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;molecular oxygen.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;molecular oxygen
PubChem CID87859014
Molecular FormulaC5H14NO3+
Molecular Weight136.17 g/mol
Exact Mass136.10
IUPAC Name2-hydroxyethyl(trimethyl)azanium;molecular oxygen
SMILESC[N+](C)(C)CCO.O=O
InChIInChI=1S/C5H14NO.O2/c1-6(2,3)4-5-7;1-2/h7H,4-5H2,1-3H3;/q+1;
InChIKeyKIGJBZCJYJULOB-UHFFFAOYSA-N
XLogP-0.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
bis(2-hydroxyethyl(trimethyl)azanium);sulfite
CID 87093704
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
bis(2-hydroxyethyl(trimethyl)azanium);selenate
CID 86566768
2-hydroxyethyl(trimethyl)azanium;urea;hydroxide
CID 175396514

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;molecular oxygen?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;molecular oxygen (CID 87859014) is 2-hydroxyethyl(trimethyl)azanium;molecular oxygen.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;molecular oxygen?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;molecular oxygen is C[N+](C)(C)CCO.O=O.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;molecular oxygen?
The InChIKey is KIGJBZCJYJULOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.O2/c1-6(2,3)4-5-7;1-2/h7H,4-5H2,1-3H3;/q+1;.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;molecular oxygen?
2-hydroxyethyl(trimethyl)azanium;molecular oxygen has a molecular weight of 136.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;molecular oxygen is sourced from PubChem (CID 87859014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).