7-oxabicyclo[4.1.1]oct-3-ene

C7H10O — CID 67291607

IUPAC7-oxabicyclo[4.1.1]oct-3-ene
SMILESC1=CCC2CC(C1)O2
InChIInChI=1S/C7H10O/c1-2-4-7-5-6(3-1)8-7/h1-2,6-7H,3-5H2
InChIKeyRORKRCKNZOWREF-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.49
Rot. Bonds

About 7-oxabicyclo[4.1.1]oct-3-ene

7-oxabicyclo[4.1.1]oct-3-ene (PubChem CID 67291607) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.1]oct-3-ene.

Molecular Properties

Compound Name7-oxabicyclo[4.1.1]oct-3-ene
PubChem CID67291607
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name7-oxabicyclo[4.1.1]oct-3-ene
SMILESC1=CCC2CC(C1)O2
InChIInChI=1S/C7H10O/c1-2-4-7-5-6(3-1)8-7/h1-2,6-7H,3-5H2
InChIKeyRORKRCKNZOWREF-UHFFFAOYSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-oxabicyclo[4.1.1]oct-3-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 7-oxabicyclo[4.1.1]oct-3-ene?
The IUPAC name of 7-oxabicyclo[4.1.1]oct-3-ene (CID 67291607) is 7-oxabicyclo[4.1.1]oct-3-ene.
What is the SMILES notation for 7-oxabicyclo[4.1.1]oct-3-ene?
The canonical SMILES for 7-oxabicyclo[4.1.1]oct-3-ene is C1=CCC2CC(C1)O2.
What is the InChIKey of 7-oxabicyclo[4.1.1]oct-3-ene?
The InChIKey is RORKRCKNZOWREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-7-5-6(3-1)8-7/h1-2,6-7H,3-5H2.
What are the key properties of 7-oxabicyclo[4.1.1]oct-3-ene?
7-oxabicyclo[4.1.1]oct-3-ene has a molecular weight of 110.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.1]oct-3-ene is sourced from PubChem (CID 67291607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).