(1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene

C8H8Br2 — CID 129403973

IUPAC(1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene
SMILESBr[C@@H]1[C@H](Br)[C@@H]2C=CC=C[C@@H]12
InChIInChI=1S/C8H8Br2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-8H/t5-,6-,7-,8+/m1/s1
InChIKeyROPLZHPSTKRFJJ-XUTVFYLZSA-N
MW263.96 g/mol
LogP2.89
Rot. Bonds

About (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene

(1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene (PubChem CID 129403973) has the molecular formula C8H8Br2 and a molecular weight of 263.96 g/mol. Its IUPAC name is (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene.

Molecular Properties

Compound Name(1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene
PubChem CID129403973
Molecular FormulaC8H8Br2
Molecular Weight263.96 g/mol
Exact Mass261.90
IUPAC Name(1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene
SMILESBr[C@@H]1[C@H](Br)[C@@H]2C=CC=C[C@@H]12
InChIInChI=1S/C8H8Br2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-8H/t5-,6-,7-,8+/m1/s1
InChIKeyROPLZHPSTKRFJJ-XUTVFYLZSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.96
LogP ≤ 52.89
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,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene?
The IUPAC name of (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene (CID 129403973) is (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene.
What is the SMILES notation for (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene?
The canonical SMILES for (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene is Br[C@@H]1[C@H](Br)[C@@H]2C=CC=C[C@@H]12.
What is the InChIKey of (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene?
The InChIKey is ROPLZHPSTKRFJJ-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H8Br2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-8H/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene?
(1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene has a molecular weight of 263.96 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R,8S)-7,8-dibromobicyclo[4.2.0]octa-2,4-diene is sourced from PubChem (CID 129403973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).