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

C13H10O3 — CID 15806616

IUPAC6-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)C2C=CC1C2
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
InChIKeyFSLDUYSYAIDMBA-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.66
Rot. Bonds

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

6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione (PubChem CID 15806616) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione.

Molecular Properties

Compound Name6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione
PubChem CID15806616
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name6-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)C2C=CC1C2
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
InChIKeyFSLDUYSYAIDMBA-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
The IUPAC name of 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione (CID 15806616) is 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 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
The canonical SMILES for 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)C2C=CC1C2.
What is the InChIKey of 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
The InChIKey is FSLDUYSYAIDMBA-UHFFFAOYSA-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.
What are the key properties of 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione?
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 6-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),4(8),12-triene-5,7-dione is sourced from PubChem (CID 15806616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).