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

C8H10O2 — CID 59720897

IUPAC5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=CC2OC2C(C2CO2)C1
InChIInChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h1,3,5-8H,2,4H2
InChIKeyCWSDOZJFDIYHAA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.73
Rot. Bonds1

About 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene

5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 59720897) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID59720897
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC1=CC2OC2C(C2CO2)C1
InChIInChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h1,3,5-8H,2,4H2
InChIKeyCWSDOZJFDIYHAA-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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Related Compounds

Divinylbenzene dioxide
CID 87060285
1,2-Epoxydiphenyl ethane
CID 129712392
7-Oxabicyclo[4.1.0]hept-4-en-3-ylmethanol
CID 54090454
2-(Oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-3-ene
CID 59720894
4-(Oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
CID 59720896
4-(Oxiran-2-yl)-6-oxabicyclo[3.1.0]hex-2-ene
CID 59720900
2-(Oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene
CID 59720901
(2,3-Epoxypropyl)benzene oxide
CID 86614311
1,7-Bis(prop-2-enyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 88422017
4-(Oxiran-2-yl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 88615173
1,4-Bis(ethenyl)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 134586703
4-Ethenyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 141004152

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene (CID 59720897) is 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene is C1=CC2OC2C(C2CO2)C1.
What is the InChIKey of 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is CWSDOZJFDIYHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-5(7-4-9-7)8-6(3-1)10-8/h1,3,5-8H,2,4H2.
What are the key properties of 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene?
5-(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 5-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 59720897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).