1-ethenoxy-2-methoxyethane

C5H10O2 — CID 15457

IUPAC1-ethenoxy-2-methoxyethane
SMILESC=COCCOC
InChIInChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3
InChIKeyGXZPMXGRNUXGHN-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.79
Rot. Bonds4

About 1-ethenoxy-2-methoxyethane

1-ethenoxy-2-methoxyethane (PubChem CID 15457) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1-ethenoxy-2-methoxyethane.

Molecular Properties

Compound Name1-ethenoxy-2-methoxyethane
PubChem CID15457
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1-ethenoxy-2-methoxyethane
SMILESC=COCCOC
InChIInChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3
InChIKeyGXZPMXGRNUXGHN-UHFFFAOYSA-N
XLogP0.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethenoxy-2-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 1-ethenoxy-2-methoxyethane?
The IUPAC name of 1-ethenoxy-2-methoxyethane (CID 15457) is 1-ethenoxy-2-methoxyethane.
What is the SMILES notation for 1-ethenoxy-2-methoxyethane?
The canonical SMILES for 1-ethenoxy-2-methoxyethane is C=COCCOC.
What is the InChIKey of 1-ethenoxy-2-methoxyethane?
The InChIKey is GXZPMXGRNUXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3.
What are the key properties of 1-ethenoxy-2-methoxyethane?
1-ethenoxy-2-methoxyethane has a molecular weight of 102.13 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methoxyethane is sourced from PubChem (CID 15457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).