2-hydroxyethyloxidanium

C2H7O2+ — CID 23553108

IUPAC2-hydroxyethyloxidanium
SMILESOCC[OH2+]
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/p+1
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-O
MW63.08 g/mol
LogP-1.30
Rot. Bonds1

About 2-hydroxyethyloxidanium

2-hydroxyethyloxidanium (PubChem CID 23553108) has the molecular formula C2H7O2+ and a molecular weight of 63.08 g/mol. Its IUPAC name is 2-hydroxyethyloxidanium.

Molecular Properties

Compound Name2-hydroxyethyloxidanium
PubChem CID23553108
Molecular FormulaC2H7O2+
Molecular Weight63.08 g/mol
Exact Mass63.04
IUPAC Name2-hydroxyethyloxidanium
SMILESOCC[OH2+]
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/p+1
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-O
XLogP-1.30
TPSA43.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.08
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyloxidanium?
The IUPAC name of 2-hydroxyethyloxidanium (CID 23553108) is 2-hydroxyethyloxidanium.
What is the SMILES notation for 2-hydroxyethyloxidanium?
The canonical SMILES for 2-hydroxyethyloxidanium is OCC[OH2+].
What is the InChIKey of 2-hydroxyethyloxidanium?
The InChIKey is LYCAIKOWRPUZTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/p+1.
What are the key properties of 2-hydroxyethyloxidanium?
2-hydroxyethyloxidanium has a molecular weight of 63.08 g/mol, XLogP of -1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyloxidanium is sourced from PubChem (CID 23553108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).