3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene

C8H10O — CID 66874660

IUPAC3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene
SMILESC=CC1OC2C=CC1C2
InChIInChI=1S/C8H10O/c1-2-8-6-3-4-7(5-6)9-8/h2-4,6-8H,1,5H2
InChIKeyKGBBVNOIKIUBIE-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.52
Rot. Bonds1

About 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene

3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene (PubChem CID 66874660) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene
PubChem CID66874660
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene
SMILESC=CC1OC2C=CC1C2
InChIInChI=1S/C8H10O/c1-2-8-6-3-4-7(5-6)9-8/h2-4,6-8H,1,5H2
InChIKeyKGBBVNOIKIUBIE-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene (CID 66874660) is 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene is C=CC1OC2C=CC1C2.
What is the InChIKey of 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene?
The InChIKey is KGBBVNOIKIUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-8-6-3-4-7(5-6)9-8/h2-4,6-8H,1,5H2.
What are the key properties of 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene?
3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene has a molecular weight of 122.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-oxabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 66874660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).