ethoxymethylidene(ethyl)oxidanium

C5H11O2+ — CID 12648808

IUPACethoxymethylidene(ethyl)oxidanium
SMILESCCO/C=[O+]/CC
InChIInChI=1S/C5H11O2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3/q+1
InChIKeyYLLYZISEJSAUMZ-UHFFFAOYSA-N
MW103.14 g/mol
LogP0.73
Rot. Bonds3

About ethoxymethylidene(ethyl)oxidanium

ethoxymethylidene(ethyl)oxidanium (PubChem CID 12648808) has the molecular formula C5H11O2+ and a molecular weight of 103.14 g/mol. Its IUPAC name is ethoxymethylidene(ethyl)oxidanium.

Molecular Properties

Compound Nameethoxymethylidene(ethyl)oxidanium
PubChem CID12648808
Molecular FormulaC5H11O2+
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Nameethoxymethylidene(ethyl)oxidanium
SMILESCCO/C=[O+]/CC
InChIInChI=1S/C5H11O2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3/q+1
InChIKeyYLLYZISEJSAUMZ-UHFFFAOYSA-N
XLogP0.73
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxymethylidene(ethyl)oxidanium?
The IUPAC name of ethoxymethylidene(ethyl)oxidanium (CID 12648808) is ethoxymethylidene(ethyl)oxidanium.
What is the SMILES notation for ethoxymethylidene(ethyl)oxidanium?
The canonical SMILES for ethoxymethylidene(ethyl)oxidanium is CCO/C=[O+]/CC.
What is the InChIKey of ethoxymethylidene(ethyl)oxidanium?
The InChIKey is YLLYZISEJSAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3/q+1.
What are the key properties of ethoxymethylidene(ethyl)oxidanium?
ethoxymethylidene(ethyl)oxidanium has a molecular weight of 103.14 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylidene(ethyl)oxidanium is sourced from PubChem (CID 12648808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).