(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C10H8Br2O — CID 11231966

IUPAC(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBr[C@H]1[C@H](Br)[C@H]2O[C@@H]1c1ccccc12
InChIInChI=1S/C10H8Br2O/c11-7-8(12)10-6-4-2-1-3-5(6)9(7)13-10/h1-4,7-10H/t7-,8-,9-,10+/m0/s1
InChIKeyZVMAWERCNZIMCR-AATLWQCWSA-N
MW303.98 g/mol
LogP3.34
Rot. Bonds

About (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 11231966) has the molecular formula C10H8Br2O and a molecular weight of 303.98 g/mol. Its IUPAC name is (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID11231966
Molecular FormulaC10H8Br2O
Molecular Weight303.98 g/mol
Exact Mass301.89
IUPAC Name(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBr[C@H]1[C@H](Br)[C@H]2O[C@@H]1c1ccccc12
InChIInChI=1S/C10H8Br2O/c11-7-8(12)10-6-4-2-1-3-5(6)9(7)13-10/h1-4,7-10H/t7-,8-,9-,10+/m0/s1
InChIKeyZVMAWERCNZIMCR-AATLWQCWSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 11231966) is (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Br[C@H]1[C@H](Br)[C@H]2O[C@@H]1c1ccccc12.
What is the InChIKey of (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is ZVMAWERCNZIMCR-AATLWQCWSA-N. The full InChI is InChI=1S/C10H8Br2O/c11-7-8(12)10-6-4-2-1-3-5(6)9(7)13-10/h1-4,7-10H/t7-,8-,9-,10+/m0/s1.
What are the key properties of (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 303.98 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 11231966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).