10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C9H8O3 — CID 20679320

IUPAC10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1CC(=O)C2C3C=CC(O3)C12
InChIInChI=1S/C9H8O3/c10-4-3-5(11)9-7-2-1-6(12-7)8(4)9/h1-2,6-9H,3H2
InChIKeyMOVSEOQLZFRDER-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.10
Rot. Bonds

About 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 20679320) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID20679320
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1CC(=O)C2C3C=CC(O3)C12
InChIInChI=1S/C9H8O3/c10-4-3-5(11)9-7-2-1-6(12-7)8(4)9/h1-2,6-9H,3H2
InChIKeyMOVSEOQLZFRDER-UHFFFAOYSA-N
XLogP0.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 20679320) is 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1CC(=O)C2C3C=CC(O3)C12.
What is the InChIKey of 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is MOVSEOQLZFRDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-4-3-5(11)9-7-2-1-6(12-7)8(4)9/h1-2,6-9H,3H2.
What are the key properties of 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 164.16 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 20679320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).