10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione

C12H10O3 — CID 5314260

IUPAC10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione
SMILESO=C1C=CC(=O)C2=C1C1CCC2C2OC12
InChIInChI=1S/C12H10O3/c13-7-3-4-8(14)10-6-2-1-5(9(7)10)11-12(6)15-11/h3-6,11-12H,1-2H2
InChIKeyPOARDBRJSPYMEJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.80
Rot. Bonds

About 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione

10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione (PubChem CID 5314260) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione.

Molecular Properties

Compound Name10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione
PubChem CID5314260
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione
SMILESO=C1C=CC(=O)C2=C1C1CCC2C2OC12
InChIInChI=1S/C12H10O3/c13-7-3-4-8(14)10-6-2-1-5(9(7)10)11-12(6)15-11/h3-6,11-12H,1-2H2
InChIKeyPOARDBRJSPYMEJ-UHFFFAOYSA-N
XLogP0.80
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione?
The IUPAC name of 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione (CID 5314260) is 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione.
What is the SMILES notation for 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione?
The canonical SMILES for 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione is O=C1C=CC(=O)C2=C1C1CCC2C2OC12.
What is the InChIKey of 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione?
The InChIKey is POARDBRJSPYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-7-3-4-8(14)10-6-2-1-5(9(7)10)11-12(6)15-11/h3-6,11-12H,1-2H2.
What are the key properties of 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione?
10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione has a molecular weight of 202.21 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatetracyclo[6.3.2.02,7.09,11]trideca-2(7),4-diene-3,6-dione is sourced from PubChem (CID 5314260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).