(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione

C9H8O3 — CID 175054073

IUPAC(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
SMILESO=C1OC[C@H]2C1[C@H]1C=C[C@@H]2C1=O
InChIInChI=1S/C9H8O3/c10-8-4-1-2-5(8)7-6(4)3-12-9(7)11/h1-2,4-7H,3H2/t4-,5+,6+,7?/m0/s1
InChIKeyBOCDRMNGIYNUNK-CUWOBHIPSA-N
MW164.16 g/mol
LogP0.16
Rot. Bonds

About (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione

(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione (PubChem CID 175054073) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione.

Molecular Properties

Compound Name(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
PubChem CID175054073
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
SMILESO=C1OC[C@H]2C1[C@H]1C=C[C@@H]2C1=O
InChIInChI=1S/C9H8O3/c10-8-4-1-2-5(8)7-6(4)3-12-9(7)11/h1-2,4-7H,3H2/t4-,5+,6+,7?/m0/s1
InChIKeyBOCDRMNGIYNUNK-CUWOBHIPSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione 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 (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione?
The IUPAC name of (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione (CID 175054073) is (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione.
What is the SMILES notation for (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione?
The canonical SMILES for (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione is O=C1OC[C@H]2C1[C@H]1C=C[C@@H]2C1=O.
What is the InChIKey of (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione?
The InChIKey is BOCDRMNGIYNUNK-CUWOBHIPSA-N. The full InChI is InChI=1S/C9H8O3/c10-8-4-1-2-5(8)7-6(4)3-12-9(7)11/h1-2,4-7H,3H2/t4-,5+,6+,7?/m0/s1.
What are the key properties of (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione?
(1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione has a molecular weight of 164.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione is sourced from PubChem (CID 175054073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).