11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C12H8Cl2O2 — CID 75995303

IUPAC11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C=CC(=O)C2C3C=CC(C3=C(Cl)Cl)C12
InChIInChI=1S/C12H8Cl2O2/c13-12(14)9-5-1-2-6(9)11-8(16)4-3-7(15)10(5)11/h1-6,10-11H
InChIKeyAESKOCVQJWIWFS-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.43
Rot. Bonds

About 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 75995303) has the molecular formula C12H8Cl2O2 and a molecular weight of 255.10 g/mol. Its IUPAC name is 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID75995303
Molecular FormulaC12H8Cl2O2
Molecular Weight255.10 g/mol
Exact Mass253.99
IUPAC Name11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C=CC(=O)C2C3C=CC(C3=C(Cl)Cl)C12
InChIInChI=1S/C12H8Cl2O2/c13-12(14)9-5-1-2-6(9)11-8(16)4-3-7(15)10(5)11/h1-6,10-11H
InChIKeyAESKOCVQJWIWFS-UHFFFAOYSA-N
XLogP2.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 75995303) is 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is O=C1C=CC(=O)C2C3C=CC(C3=C(Cl)Cl)C12.
What is the InChIKey of 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is AESKOCVQJWIWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2/c13-12(14)9-5-1-2-6(9)11-8(16)4-3-7(15)10(5)11/h1-6,10-11H.
What are the key properties of 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 255.10 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dichloromethylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 75995303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).