8-oxabicyclo[3.2.1]oct-2-ene

C7H10O — CID 18413946

IUPAC8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=CC2CCC(C1)O2
InChIInChI=1S/C7H10O/c1-2-6-4-5-7(3-1)8-6/h1-2,6-7H,3-5H2
InChIKeyYONJKKFOFGYRNM-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.49
Rot. Bonds

About 8-oxabicyclo[3.2.1]oct-2-ene

8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 18413946) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID18413946
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=CC2CCC(C1)O2
InChIInChI=1S/C7H10O/c1-2-6-4-5-7(3-1)8-6/h1-2,6-7H,3-5H2
InChIKeyYONJKKFOFGYRNM-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 8-oxabicyclo[3.2.1]oct-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 8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-oxabicyclo[3.2.1]oct-2-ene (CID 18413946) is 8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-oxabicyclo[3.2.1]oct-2-ene is C1=CC2CCC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is YONJKKFOFGYRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-6-4-5-7(3-1)8-6/h1-2,6-7H,3-5H2.
What are the key properties of 8-oxabicyclo[3.2.1]oct-2-ene?
8-oxabicyclo[3.2.1]oct-2-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 8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 18413946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).