1-ethenoxy-1-methoxyethene

C5H8O2 — CID 71403326

IUPAC1-ethenoxy-1-methoxyethene
SMILESC=COC(=C)OC
InChIInChI=1S/C5H8O2/c1-4-7-5(2)6-3/h4H,1-2H2,3H3
InChIKeyRXOVRKHEFGVJSO-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.26
Rot. Bonds3

About 1-ethenoxy-1-methoxyethene

1-ethenoxy-1-methoxyethene (PubChem CID 71403326) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-ethenoxy-1-methoxyethene.

Molecular Properties

Compound Name1-ethenoxy-1-methoxyethene
PubChem CID71403326
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name1-ethenoxy-1-methoxyethene
SMILESC=COC(=C)OC
InChIInChI=1S/C5H8O2/c1-4-7-5(2)6-3/h4H,1-2H2,3H3
InChIKeyRXOVRKHEFGVJSO-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1-methoxyethene?
The IUPAC name of 1-ethenoxy-1-methoxyethene (CID 71403326) is 1-ethenoxy-1-methoxyethene.
What is the SMILES notation for 1-ethenoxy-1-methoxyethene?
The canonical SMILES for 1-ethenoxy-1-methoxyethene is C=COC(=C)OC.
What is the InChIKey of 1-ethenoxy-1-methoxyethene?
The InChIKey is RXOVRKHEFGVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-7-5(2)6-3/h4H,1-2H2,3H3.
What are the key properties of 1-ethenoxy-1-methoxyethene?
1-ethenoxy-1-methoxyethene has a molecular weight of 100.12 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-methoxyethene is sourced from PubChem (CID 71403326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).