ethylideneoxidanium

C2H5O+ — CID 12543514

IUPACethylideneoxidanium
SMILES[H]/[O+]=C/C
InChIInChI=1S/C2H4O/c1-2-3/h2H,1H3/p+1
InChIKeyIKHGUXGNUITLKF-UHFFFAOYSA-O
MW45.06 g/mol
LogP0.18
Rot. Bonds

About ethylideneoxidanium

ethylideneoxidanium (PubChem CID 12543514) has the molecular formula C2H5O+ and a molecular weight of 45.06 g/mol. Its IUPAC name is ethylideneoxidanium.

Molecular Properties

Compound Nameethylideneoxidanium
PubChem CID12543514
Molecular FormulaC2H5O+
Molecular Weight45.06 g/mol
Exact Mass45.03
IUPAC Nameethylideneoxidanium
SMILES[H]/[O+]=C/C
InChIInChI=1S/C2H4O/c1-2-3/h2H,1H3/p+1
InChIKeyIKHGUXGNUITLKF-UHFFFAOYSA-O
XLogP0.18
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50045.06
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 ethylideneoxidanium?
The IUPAC name of ethylideneoxidanium (CID 12543514) is ethylideneoxidanium.
What is the SMILES notation for ethylideneoxidanium?
The canonical SMILES for ethylideneoxidanium is [H]/[O+]=C/C.
What is the InChIKey of ethylideneoxidanium?
The InChIKey is IKHGUXGNUITLKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H4O/c1-2-3/h2H,1H3/p+1.
What are the key properties of ethylideneoxidanium?
ethylideneoxidanium has a molecular weight of 45.06 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneoxidanium is sourced from PubChem (CID 12543514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).