(1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione

C13H10O3 — CID 10512793

IUPAC(1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione
SMILESO=C1OC(=O)C2=C1CC1=C(C2)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C13H10O3/c14-12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13(15)16-12/h1-2,6-7H,3-5H2/t6-,7+
InChIKeyFSLDUYSYAIDMBA-KNVOCYPGSA-N
MW214.22 g/mol
LogP1.66
Rot. Bonds

About (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione

(1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione (PubChem CID 10512793) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione.

Molecular Properties

Compound Name(1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione
PubChem CID10512793
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name(1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione
SMILESO=C1OC(=O)C2=C1CC1=C(C2)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C13H10O3/c14-12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13(15)16-12/h1-2,6-7H,3-5H2/t6-,7+
InChIKeyFSLDUYSYAIDMBA-KNVOCYPGSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.66
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'}

Analyze (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-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,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
The IUPAC name of (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione (CID 10512793) is (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione.
What is the SMILES notation for (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
The canonical SMILES for (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione is O=C1OC(=O)C2=C1CC1=C(C2)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
The InChIKey is FSLDUYSYAIDMBA-KNVOCYPGSA-N. The full InChI is InChI=1S/C13H10O3/c14-12-10-4-8-6-1-2-7(3-6)9(8)5-11(10)13(15)16-12/h1-2,6-7H,3-5H2/t6-,7+.
What are the key properties of (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
(1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione has a molecular weight of 214.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11S)-6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione is sourced from PubChem (CID 10512793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).