(4S,5S)-4,5-dibromocyclohexene

C6H8Br2 — CID 5325851

IUPAC(4S,5S)-4,5-dibromocyclohexene
SMILESBr[C@H]1CC=CC[C@@H]1Br
InChIInChI=1S/C6H8Br2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKeyAAJZFOGMZOTJFE-WDSKDSINSA-N
MW239.94 g/mol
LogP2.86
Rot. Bonds

About (4S,5S)-4,5-dibromocyclohexene

(4S,5S)-4,5-dibromocyclohexene (PubChem CID 5325851) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is (4S,5S)-4,5-dibromocyclohexene.

Molecular Properties

Compound Name(4S,5S)-4,5-dibromocyclohexene
PubChem CID5325851
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name(4S,5S)-4,5-dibromocyclohexene
SMILESBr[C@H]1CC=CC[C@@H]1Br
InChIInChI=1S/C6H8Br2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKeyAAJZFOGMZOTJFE-WDSKDSINSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.94
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dibromocyclohexene?
The IUPAC name of (4S,5S)-4,5-dibromocyclohexene (CID 5325851) is (4S,5S)-4,5-dibromocyclohexene.
What is the SMILES notation for (4S,5S)-4,5-dibromocyclohexene?
The canonical SMILES for (4S,5S)-4,5-dibromocyclohexene is Br[C@H]1CC=CC[C@@H]1Br.
What is the InChIKey of (4S,5S)-4,5-dibromocyclohexene?
The InChIKey is AAJZFOGMZOTJFE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H8Br2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-4,5-dibromocyclohexene?
(4S,5S)-4,5-dibromocyclohexene has a molecular weight of 239.94 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dibromocyclohexene is sourced from PubChem (CID 5325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).