3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one

C8H8O3 — CID 14532642

IUPAC3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one
SMILESO=C1OCC23C=CC(CC12)O3
InChIInChI=1S/C8H8O3/c9-7-6-3-5-1-2-8(6,11-5)4-10-7/h1-2,5-6H,3-4H2
InChIKeyALJZRWZWYXAHOI-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.26
Rot. Bonds

About 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one

3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one (PubChem CID 14532642) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one.

Molecular Properties

Compound Name3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one
PubChem CID14532642
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one
SMILESO=C1OCC23C=CC(CC12)O3
InChIInChI=1S/C8H8O3/c9-7-6-3-5-1-2-8(6,11-5)4-10-7/h1-2,5-6H,3-4H2
InChIKeyALJZRWZWYXAHOI-UHFFFAOYSA-N
XLogP0.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one 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 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one?
The IUPAC name of 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one (CID 14532642) is 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one.
What is the SMILES notation for 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one?
The canonical SMILES for 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one is O=C1OCC23C=CC(CC12)O3.
What is the InChIKey of 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one?
The InChIKey is ALJZRWZWYXAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-7-6-3-5-1-2-8(6,11-5)4-10-7/h1-2,5-6H,3-4H2.
What are the key properties of 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one?
3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dioxatricyclo[5.2.1.01,5]dec-8-en-4-one is sourced from PubChem (CID 14532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).