methoxyethane

C3H7O+ — CID 12660728

IUPACmethoxyethane
SMILESC[CH+]OC
InChIInChI=1S/C3H7O/c1-3-4-2/h3H,1-2H3/q+1
InChIKeyOLNRPUHFOLFRKI-UHFFFAOYSA-N
MW59.09 g/mol
LogP0.81
Rot. Bonds1

About methoxyethane

methoxyethane (PubChem CID 12660728) has the molecular formula C3H7O+ and a molecular weight of 59.09 g/mol. Its IUPAC name is methoxyethane.

Molecular Properties

Compound Namemethoxyethane
PubChem CID12660728
Molecular FormulaC3H7O+
Molecular Weight59.09 g/mol
Exact Mass59.05
IUPAC Namemethoxyethane
SMILESC[CH+]OC
InChIInChI=1S/C3H7O/c1-3-4-2/h3H,1-2H3/q+1
InChIKeyOLNRPUHFOLFRKI-UHFFFAOYSA-N
XLogP0.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.09
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxyethane?
The IUPAC name of methoxyethane (CID 12660728) is methoxyethane.
What is the SMILES notation for methoxyethane?
The canonical SMILES for methoxyethane is C[CH+]OC.
What is the InChIKey of methoxyethane?
The InChIKey is OLNRPUHFOLFRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O/c1-3-4-2/h3H,1-2H3/q+1.
What are the key properties of methoxyethane?
methoxyethane has a molecular weight of 59.09 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane is sourced from PubChem (CID 12660728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).