2-(1-methoxyethenyl)oxirane

C5H8O2 — CID 59903796

IUPAC2-(1-methoxyethenyl)oxirane
SMILESC=C(OC)C1CO1
InChIInChI=1S/C5H8O2/c1-4(6-2)5-3-7-5/h5H,1,3H2,2H3
InChIKeyZGNQKVGDCFMRIY-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.55
Rot. Bonds2

About 2-(1-methoxyethenyl)oxirane

2-(1-methoxyethenyl)oxirane (PubChem CID 59903796) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-(1-methoxyethenyl)oxirane.

Molecular Properties

Compound Name2-(1-methoxyethenyl)oxirane
PubChem CID59903796
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2-(1-methoxyethenyl)oxirane
SMILESC=C(OC)C1CO1
InChIInChI=1S/C5H8O2/c1-4(6-2)5-3-7-5/h5H,1,3H2,2H3
InChIKeyZGNQKVGDCFMRIY-UHFFFAOYSA-N
XLogP0.55
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethenyl)oxirane?
The IUPAC name of 2-(1-methoxyethenyl)oxirane (CID 59903796) is 2-(1-methoxyethenyl)oxirane.
What is the SMILES notation for 2-(1-methoxyethenyl)oxirane?
The canonical SMILES for 2-(1-methoxyethenyl)oxirane is C=C(OC)C1CO1.
What is the InChIKey of 2-(1-methoxyethenyl)oxirane?
The InChIKey is ZGNQKVGDCFMRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4(6-2)5-3-7-5/h5H,1,3H2,2H3.
What are the key properties of 2-(1-methoxyethenyl)oxirane?
2-(1-methoxyethenyl)oxirane has a molecular weight of 100.12 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethenyl)oxirane is sourced from PubChem (CID 59903796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).