5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene

C8H12O3 — CID 22618970

IUPAC5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOC1C2C=CC(O2)C1OC
InChIInChI=1S/C8H12O3/c1-9-7-5-3-4-6(11-5)8(7)10-2/h3-8H,1-2H3
InChIKeyIYAXDTIBZWHKJF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.35
Rot. Bonds2

About 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene

5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 22618970) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID22618970
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOC1C2C=CC(O2)C1OC
InChIInChI=1S/C8H12O3/c1-9-7-5-3-4-6(11-5)8(7)10-2/h3-8H,1-2H3
InChIKeyIYAXDTIBZWHKJF-UHFFFAOYSA-N
XLogP0.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene 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 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene (CID 22618970) is 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene is COC1C2C=CC(O2)C1OC.
What is the InChIKey of 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is IYAXDTIBZWHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-9-7-5-3-4-6(11-5)8(7)10-2/h3-8H,1-2H3.
What are the key properties of 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene?
5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 156.18 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22618970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).