(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene

C6H6Br4 — CID 14926706

IUPAC(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene
SMILESBrC1=C[C@@H](Br)[C@H](Br)C[C@@H]1Br
InChIInChI=1S/C6H6Br4/c7-3-1-4(8)6(10)2-5(3)9/h1,3,5-6H,2H2/t3-,5-,6+/m1/s1
InChIKeyDONXVGWXJLJQCD-PUFIMZNGSA-N
MW397.73 g/mol
LogP3.96
Rot. Bonds

About (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene

(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene (PubChem CID 14926706) has the molecular formula C6H6Br4 and a molecular weight of 397.73 g/mol. Its IUPAC name is (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene.

Molecular Properties

Compound Name(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene
PubChem CID14926706
Molecular FormulaC6H6Br4
Molecular Weight397.73 g/mol
Exact Mass393.72
IUPAC Name(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene
SMILESBrC1=C[C@@H](Br)[C@H](Br)C[C@@H]1Br
InChIInChI=1S/C6H6Br4/c7-3-1-4(8)6(10)2-5(3)9/h1,3,5-6H,2H2/t3-,5-,6+/m1/s1
InChIKeyDONXVGWXJLJQCD-PUFIMZNGSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.73
LogP ≤ 53.96
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 (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene?
The IUPAC name of (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene (CID 14926706) is (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene.
What is the SMILES notation for (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene?
The canonical SMILES for (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene is BrC1=C[C@@H](Br)[C@H](Br)C[C@@H]1Br.
What is the InChIKey of (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene?
The InChIKey is DONXVGWXJLJQCD-PUFIMZNGSA-N. The full InChI is InChI=1S/C6H6Br4/c7-3-1-4(8)6(10)2-5(3)9/h1,3,5-6H,2H2/t3-,5-,6+/m1/s1.
What are the key properties of (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene?
(3R,4R,6S)-1,3,4,6-tetrabromocyclohexene has a molecular weight of 397.73 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-1,3,4,6-tetrabromocyclohexene is sourced from PubChem (CID 14926706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).