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

C11H8Br4 — CID 154735127

IUPAC(1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBrC1[C@H]2c3ccccc3[C@]1(Br)[C@H](Br)[C@H]2Br
InChIInChI=1S/C11H8Br4/c12-8-7-5-3-1-2-4-6(5)11(15,9(7)13)10(8)14/h1-4,7-10H/t7-,8-,9?,10+,11+/m0/s1
InChIKeyYQOLUCYVQSZPIT-XSCZHNOTSA-N
MW459.80 g/mol
LogP4.68
Rot. Bonds

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

(1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 154735127) has the molecular formula C11H8Br4 and a molecular weight of 459.80 g/mol. Its IUPAC name is (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID154735127
Molecular FormulaC11H8Br4
Molecular Weight459.80 g/mol
Exact Mass455.74
IUPAC Name(1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESBrC1[C@H]2c3ccccc3[C@]1(Br)[C@H](Br)[C@H]2Br
InChIInChI=1S/C11H8Br4/c12-8-7-5-3-1-2-4-6(5)11(15,9(7)13)10(8)14/h1-4,7-10H/t7-,8-,9?,10+,11+/m0/s1
InChIKeyYQOLUCYVQSZPIT-XSCZHNOTSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 154735127) is (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene is BrC1[C@H]2c3ccccc3[C@]1(Br)[C@H](Br)[C@H]2Br.
What is the InChIKey of (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is YQOLUCYVQSZPIT-XSCZHNOTSA-N. The full InChI is InChI=1S/C11H8Br4/c12-8-7-5-3-1-2-4-6(5)11(15,9(7)13)10(8)14/h1-4,7-10H/t7-,8-,9?,10+,11+/m0/s1.
What are the key properties of (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 459.80 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9S,10R)-1,9,10,11-tetrabromotricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 154735127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).