ethoxyethane

C4H9O+ — CID 12660730

IUPACethoxyethane
SMILESC[CH+]OCC
InChIInChI=1S/C4H9O/c1-3-5-4-2/h3H,4H2,1-2H3/q+1
InChIKeyACYIJXRBWCUMIX-UHFFFAOYSA-N
MW73.11 g/mol
LogP1.20
Rot. Bonds2

About ethoxyethane

ethoxyethane (PubChem CID 12660730) has the molecular formula C4H9O+ and a molecular weight of 73.11 g/mol. Its IUPAC name is ethoxyethane.

Molecular Properties

Compound Nameethoxyethane
PubChem CID12660730
Molecular FormulaC4H9O+
Molecular Weight73.11 g/mol
Exact Mass73.06
IUPAC Nameethoxyethane
SMILESC[CH+]OCC
InChIInChI=1S/C4H9O/c1-3-5-4-2/h3H,4H2,1-2H3/q+1
InChIKeyACYIJXRBWCUMIX-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane?
The IUPAC name of ethoxyethane (CID 12660730) is ethoxyethane.
What is the SMILES notation for ethoxyethane?
The canonical SMILES for ethoxyethane is C[CH+]OCC.
What is the InChIKey of ethoxyethane?
The InChIKey is ACYIJXRBWCUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-5-4-2/h3H,4H2,1-2H3/q+1.
What are the key properties of ethoxyethane?
ethoxyethane has a molecular weight of 73.11 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane is sourced from PubChem (CID 12660730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).