ethyl(dimethyl)oxidanium

C4H11O+ — CID 23026364

IUPACethyl(dimethyl)oxidanium
SMILESCC[O+](C)C
InChIInChI=1S/C4H11O/c1-4-5(2)3/h4H2,1-3H3/q+1
InChIKeyLNXKLBNNZGWGBD-UHFFFAOYSA-N
MW75.13 g/mol
LogP0.82
Rot. Bonds1

About ethyl(dimethyl)oxidanium

ethyl(dimethyl)oxidanium (PubChem CID 23026364) has the molecular formula C4H11O+ and a molecular weight of 75.13 g/mol. Its IUPAC name is ethyl(dimethyl)oxidanium.

Molecular Properties

Compound Nameethyl(dimethyl)oxidanium
PubChem CID23026364
Molecular FormulaC4H11O+
Molecular Weight75.13 g/mol
Exact Mass75.08
IUPAC Nameethyl(dimethyl)oxidanium
SMILESCC[O+](C)C
InChIInChI=1S/C4H11O/c1-4-5(2)3/h4H2,1-3H3/q+1
InChIKeyLNXKLBNNZGWGBD-UHFFFAOYSA-N
XLogP0.82
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.13
LogP ≤ 50.82
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 ethyl(dimethyl)oxidanium?
The IUPAC name of ethyl(dimethyl)oxidanium (CID 23026364) is ethyl(dimethyl)oxidanium.
What is the SMILES notation for ethyl(dimethyl)oxidanium?
The canonical SMILES for ethyl(dimethyl)oxidanium is CC[O+](C)C.
What is the InChIKey of ethyl(dimethyl)oxidanium?
The InChIKey is LNXKLBNNZGWGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O/c1-4-5(2)3/h4H2,1-3H3/q+1.
What are the key properties of ethyl(dimethyl)oxidanium?
ethyl(dimethyl)oxidanium has a molecular weight of 75.13 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dimethyl)oxidanium is sourced from PubChem (CID 23026364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).