4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene

C7H8O2 — CID 59720900

IUPAC4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene
SMILESC1=CC(C2CO2)C2OC12
InChIInChI=1S/C7H8O2/c1-2-5-7(9-5)4(1)6-3-8-6/h1-2,4-7H,3H2
InChIKeyIEPMAZMJLKSZII-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.34
Rot. Bonds1

About 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene

4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene (PubChem CID 59720900) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene
PubChem CID59720900
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene
SMILESC1=CC(C2CO2)C2OC12
InChIInChI=1S/C7H8O2/c1-2-5-7(9-5)4(1)6-3-8-6/h1-2,4-7H,3H2
InChIKeyIEPMAZMJLKSZII-UHFFFAOYSA-N
XLogP0.34
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene?
The IUPAC name of 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene (CID 59720900) is 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene is C1=CC(C2CO2)C2OC12.
What is the InChIKey of 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene?
The InChIKey is IEPMAZMJLKSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-5-7(9-5)4(1)6-3-8-6/h1-2,4-7H,3H2.
What are the key properties of 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene?
4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene has a molecular weight of 124.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 59720900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).