diethyl(methyl)oxidanium

C5H13O+ — CID 14569188

IUPACdiethyl(methyl)oxidanium
SMILESCC[O+](C)CC
InChIInChI=1S/C5H13O/c1-4-6(3)5-2/h4-5H2,1-3H3/q+1
InChIKeyFTJLWUBPNKLGQE-UHFFFAOYSA-N
MW89.16 g/mol
LogP1.21
Rot. Bonds2

About diethyl(methyl)oxidanium

diethyl(methyl)oxidanium (PubChem CID 14569188) has the molecular formula C5H13O+ and a molecular weight of 89.16 g/mol. Its IUPAC name is diethyl(methyl)oxidanium.

Molecular Properties

Compound Namediethyl(methyl)oxidanium
PubChem CID14569188
Molecular FormulaC5H13O+
Molecular Weight89.16 g/mol
Exact Mass89.10
IUPAC Namediethyl(methyl)oxidanium
SMILESCC[O+](C)CC
InChIInChI=1S/C5H13O/c1-4-6(3)5-2/h4-5H2,1-3H3/q+1
InChIKeyFTJLWUBPNKLGQE-UHFFFAOYSA-N
XLogP1.21
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 diethyl(methyl)oxidanium?
The IUPAC name of diethyl(methyl)oxidanium (CID 14569188) is diethyl(methyl)oxidanium.
What is the SMILES notation for diethyl(methyl)oxidanium?
The canonical SMILES for diethyl(methyl)oxidanium is CC[O+](C)CC.
What is the InChIKey of diethyl(methyl)oxidanium?
The InChIKey is FTJLWUBPNKLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O/c1-4-6(3)5-2/h4-5H2,1-3H3/q+1.
What are the key properties of diethyl(methyl)oxidanium?
diethyl(methyl)oxidanium has a molecular weight of 89.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methyl)oxidanium is sourced from PubChem (CID 14569188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).