2,7-dioxabicyclo[2.2.1]hept-5-ene

C5H6O2 — CID 14474501

IUPAC2,7-dioxabicyclo[2.2.1]hept-5-ene
SMILESC1=CC2OCC1O2
InChIInChI=1S/C5H6O2/c1-2-5-6-3-4(1)7-5/h1-2,4-5H,3H2
InChIKeyHKLZBSPBOBDMEF-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.30
Rot. Bonds

About 2,7-dioxabicyclo[2.2.1]hept-5-ene

2,7-dioxabicyclo[2.2.1]hept-5-ene (PubChem CID 14474501) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2,7-dioxabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name2,7-dioxabicyclo[2.2.1]hept-5-ene
PubChem CID14474501
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2,7-dioxabicyclo[2.2.1]hept-5-ene
SMILESC1=CC2OCC1O2
InChIInChI=1S/C5H6O2/c1-2-5-6-3-4(1)7-5/h1-2,4-5H,3H2
InChIKeyHKLZBSPBOBDMEF-UHFFFAOYSA-N
XLogP0.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,7-dioxabicyclo[2.2.1]hept-5-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 2,7-dioxabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 2,7-dioxabicyclo[2.2.1]hept-5-ene (CID 14474501) is 2,7-dioxabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 2,7-dioxabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 2,7-dioxabicyclo[2.2.1]hept-5-ene is C1=CC2OCC1O2.
What is the InChIKey of 2,7-dioxabicyclo[2.2.1]hept-5-ene?
The InChIKey is HKLZBSPBOBDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c1-2-5-6-3-4(1)7-5/h1-2,4-5H,3H2.
What are the key properties of 2,7-dioxabicyclo[2.2.1]hept-5-ene?
2,7-dioxabicyclo[2.2.1]hept-5-ene has a molecular weight of 98.10 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 14474501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).