1-hydroxyethoxy(oxo)oxidanium

C2H5O4+ — CID 91367284

IUPAC1-hydroxyethoxy(oxo)oxidanium
SMILESCC(O)O[O+]=O
InChIInChI=1S/C2H5O4/c1-2(3)5-6-4/h2-3H,1H3/q+1
InChIKeyYKFXJOFRAPKIAE-UHFFFAOYSA-N
MW93.06 g/mol
LogP-0.13
Rot. Bonds2

About 1-hydroxyethoxy(oxo)oxidanium

1-hydroxyethoxy(oxo)oxidanium (PubChem CID 91367284) has the molecular formula C2H5O4+ and a molecular weight of 93.06 g/mol. Its IUPAC name is 1-hydroxyethoxy(oxo)oxidanium.

Molecular Properties

Compound Name1-hydroxyethoxy(oxo)oxidanium
PubChem CID91367284
Molecular FormulaC2H5O4+
Molecular Weight93.06 g/mol
Exact Mass93.02
IUPAC Name1-hydroxyethoxy(oxo)oxidanium
SMILESCC(O)O[O+]=O
InChIInChI=1S/C2H5O4/c1-2(3)5-6-4/h2-3H,1H3/q+1
InChIKeyYKFXJOFRAPKIAE-UHFFFAOYSA-N
XLogP-0.13
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.06
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-hydroxyethoxy(oxo)oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Ethanediol
CID 151211
1-Hydroperoxyethanol
CID 177067
Ethyldioxy, 1-hydroxy-
CID 176942
alpha-Hydroxyethyl hydrotrioxide
CID 12927033
1-Hydroxyethanolate
CID 22137868
Oxymethylathylperoxyd
CID 22967409
1,1'-Peroxydi(ethan-1-ol)
CID 54085263
Water ethanediol
CID 86643495
1,1-Dihydroperoxyethane
CID 90713887
Hcl ethanediol
CID 133083642
Lithium hydroxyethoxide
CID 23664518
CID 42627006
CID 42627006

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethoxy(oxo)oxidanium?
The IUPAC name of 1-hydroxyethoxy(oxo)oxidanium (CID 91367284) is 1-hydroxyethoxy(oxo)oxidanium.
What is the SMILES notation for 1-hydroxyethoxy(oxo)oxidanium?
The canonical SMILES for 1-hydroxyethoxy(oxo)oxidanium is CC(O)O[O+]=O.
What is the InChIKey of 1-hydroxyethoxy(oxo)oxidanium?
The InChIKey is YKFXJOFRAPKIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O4/c1-2(3)5-6-4/h2-3H,1H3/q+1.
What are the key properties of 1-hydroxyethoxy(oxo)oxidanium?
1-hydroxyethoxy(oxo)oxidanium has a molecular weight of 93.06 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethoxy(oxo)oxidanium is sourced from PubChem (CID 91367284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).