(1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C11H8Cl2O2 — CID 10955764

IUPAC(1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H8Cl2O2/c12-8-9(13)11(15)7-5-2-1-4(3-5)6(7)10(8)14/h1-2,4-7H,3H2/t4-,5+,6?,7?
InChIKeyWEGSYDIPZCRXKT-DPTVFECHSA-N
MW243.09 g/mol
LogP2.27
Rot. Bonds

About (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

(1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 10955764) has the molecular formula C11H8Cl2O2 and a molecular weight of 243.09 g/mol. Its IUPAC name is (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name(1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID10955764
Molecular FormulaC11H8Cl2O2
Molecular Weight243.09 g/mol
Exact Mass241.99
IUPAC Name(1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H8Cl2O2/c12-8-9(13)11(15)7-5-2-1-4(3-5)6(7)10(8)14/h1-2,4-7H,3H2/t4-,5+,6?,7?
InChIKeyWEGSYDIPZCRXKT-DPTVFECHSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 10955764) is (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is O=C1C(Cl)=C(Cl)C(=O)C2C1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is WEGSYDIPZCRXKT-DPTVFECHSA-N. The full InChI is InChI=1S/C11H8Cl2O2/c12-8-9(13)11(15)7-5-2-1-4(3-5)6(7)10(8)14/h1-2,4-7H,3H2/t4-,5+,6?,7?.
What are the key properties of (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
(1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 243.09 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 10955764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).