8-oxabicyclo[5.1.0]octa-2,4-diene

C7H8O — CID 12561969

IUPAC8-oxabicyclo[5.1.0]octa-2,4-diene
SMILESC1=CCC2OC2C=C1
InChIInChI=1S/C7H8O/c1-2-4-6-7(8-6)5-3-1/h1-4,6-7H,5H2
InChIKeyZWTYXNZNJCBZDL-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.27
Rot. Bonds

About 8-oxabicyclo[5.1.0]octa-2,4-diene

8-oxabicyclo[5.1.0]octa-2,4-diene (PubChem CID 12561969) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 8-oxabicyclo[5.1.0]octa-2,4-diene.

Molecular Properties

Compound Name8-oxabicyclo[5.1.0]octa-2,4-diene
PubChem CID12561969
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name8-oxabicyclo[5.1.0]octa-2,4-diene
SMILESC1=CCC2OC2C=C1
InChIInChI=1S/C7H8O/c1-2-4-6-7(8-6)5-3-1/h1-4,6-7H,5H2
InChIKeyZWTYXNZNJCBZDL-UHFFFAOYSA-N
XLogP1.27
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-oxabicyclo[5.1.0]octa-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[5.1.0]octa-2,4-diene?
The IUPAC name of 8-oxabicyclo[5.1.0]octa-2,4-diene (CID 12561969) is 8-oxabicyclo[5.1.0]octa-2,4-diene.
What is the SMILES notation for 8-oxabicyclo[5.1.0]octa-2,4-diene?
The canonical SMILES for 8-oxabicyclo[5.1.0]octa-2,4-diene is C1=CCC2OC2C=C1.
What is the InChIKey of 8-oxabicyclo[5.1.0]octa-2,4-diene?
The InChIKey is ZWTYXNZNJCBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-4-6-7(8-6)5-3-1/h1-4,6-7H,5H2.
What are the key properties of 8-oxabicyclo[5.1.0]octa-2,4-diene?
8-oxabicyclo[5.1.0]octa-2,4-diene has a molecular weight of 108.14 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[5.1.0]octa-2,4-diene is sourced from PubChem (CID 12561969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).