(3-ethoxy-2-hydroxypropyl)-trimethylazanium

C8H20NO2+ — CID 22266946

IUPAC(3-ethoxy-2-hydroxypropyl)-trimethylazanium
SMILESCCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C8H20NO2/c1-5-11-7-8(10)6-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1
InChIKeyPXCAJRXANLFSNN-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.09
Rot. Bonds5

About (3-ethoxy-2-hydroxypropyl)-trimethylazanium

(3-ethoxy-2-hydroxypropyl)-trimethylazanium (PubChem CID 22266946) has the molecular formula C8H20NO2+ and a molecular weight of 162.25 g/mol. Its IUPAC name is (3-ethoxy-2-hydroxypropyl)-trimethylazanium.

Molecular Properties

Compound Name(3-ethoxy-2-hydroxypropyl)-trimethylazanium
PubChem CID22266946
Molecular FormulaC8H20NO2+
Molecular Weight162.25 g/mol
Exact Mass162.15
IUPAC Name(3-ethoxy-2-hydroxypropyl)-trimethylazanium
SMILESCCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C8H20NO2/c1-5-11-7-8(10)6-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1
InChIKeyPXCAJRXANLFSNN-UHFFFAOYSA-N
XLogP0.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-ethoxy-2-hydroxypropyl)-trimethylazanium?
The IUPAC name of (3-ethoxy-2-hydroxypropyl)-trimethylazanium (CID 22266946) is (3-ethoxy-2-hydroxypropyl)-trimethylazanium.
What is the SMILES notation for (3-ethoxy-2-hydroxypropyl)-trimethylazanium?
The canonical SMILES for (3-ethoxy-2-hydroxypropyl)-trimethylazanium is CCOCC(O)C[N+](C)(C)C.
What is the InChIKey of (3-ethoxy-2-hydroxypropyl)-trimethylazanium?
The InChIKey is PXCAJRXANLFSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO2/c1-5-11-7-8(10)6-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1.
What are the key properties of (3-ethoxy-2-hydroxypropyl)-trimethylazanium?
(3-ethoxy-2-hydroxypropyl)-trimethylazanium has a molecular weight of 162.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-hydroxypropyl)-trimethylazanium is sourced from PubChem (CID 22266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).