4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene

C8H10O2 — CID 59720896

IUPAC4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=CC2OC2CC1C1CO1
InChIInChI=1S/C8H10O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h1-2,5-8H,3-4H2
InChIKeyOTDPJZTXFBRKPK-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.73
Rot. Bonds1

About 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene

4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 59720896) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID59720896
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=CC2OC2CC1C1CO1
InChIInChI=1S/C8H10O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h1-2,5-8H,3-4H2
InChIKeyOTDPJZTXFBRKPK-UHFFFAOYSA-N
XLogP0.73
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.73
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)-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene (CID 59720896) is 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene is C1=CC2OC2CC1C1CO1.
What is the InChIKey of 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is OTDPJZTXFBRKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h1-2,5-8H,3-4H2.
What are the key properties of 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 138.17 g/mol, XLogP of 0.73, 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)-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 59720896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).