3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H8O — CID 3035209

IUPAC3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC1=CC2OC2C=C1
InChIInChI=1S/C8H8O/c1-2-6-3-4-7-8(5-6)9-7/h2-5,7-8H,1H2
InChIKeyRALWWJZPMTULQM-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.44
Rot. Bonds1

About 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 3035209) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID3035209
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=CC1=CC2OC2C=C1
InChIInChI=1S/C8H8O/c1-2-6-3-4-7-8(5-6)9-7/h2-5,7-8H,1H2
InChIKeyRALWWJZPMTULQM-UHFFFAOYSA-N
XLogP1.44
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 3035209) is 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is C=CC1=CC2OC2C=C1.
What is the InChIKey of 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is RALWWJZPMTULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-6-3-4-7-8(5-6)9-7/h2-5,7-8H,1H2.
What are the key properties of 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 120.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 3035209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).