1,3,4,5,6,6-hexabromohex-1-ene

C6H6Br6 — CID 173448771

IUPAC1,3,4,5,6,6-hexabromohex-1-ene
SMILESBrC=CC(Br)C(Br)C(Br)C(Br)Br
InChIInChI=1S/C6H6Br6/c7-2-1-3(8)4(9)5(10)6(11)12/h1-6H
InChIKeyKBTLNKOVGZHTJY-UHFFFAOYSA-N
MW557.54 g/mol
LogP5.30
Rot. Bonds4

About 1,3,4,5,6,6-hexabromohex-1-ene

1,3,4,5,6,6-hexabromohex-1-ene (PubChem CID 173448771) has the molecular formula C6H6Br6 and a molecular weight of 557.54 g/mol. Its IUPAC name is 1,3,4,5,6,6-hexabromohex-1-ene.

Molecular Properties

Compound Name1,3,4,5,6,6-hexabromohex-1-ene
PubChem CID173448771
Molecular FormulaC6H6Br6
Molecular Weight557.54 g/mol
Exact Mass551.56
IUPAC Name1,3,4,5,6,6-hexabromohex-1-ene
SMILESBrC=CC(Br)C(Br)C(Br)C(Br)Br
InChIInChI=1S/C6H6Br6/c7-2-1-3(8)4(9)5(10)6(11)12/h1-6H
InChIKeyKBTLNKOVGZHTJY-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.54
LogP ≤ 55.30
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 1,3,4,5,6,6-hexabromohex-1-ene?
The IUPAC name of 1,3,4,5,6,6-hexabromohex-1-ene (CID 173448771) is 1,3,4,5,6,6-hexabromohex-1-ene.
What is the SMILES notation for 1,3,4,5,6,6-hexabromohex-1-ene?
The canonical SMILES for 1,3,4,5,6,6-hexabromohex-1-ene is BrC=CC(Br)C(Br)C(Br)C(Br)Br.
What is the InChIKey of 1,3,4,5,6,6-hexabromohex-1-ene?
The InChIKey is KBTLNKOVGZHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br6/c7-2-1-3(8)4(9)5(10)6(11)12/h1-6H.
What are the key properties of 1,3,4,5,6,6-hexabromohex-1-ene?
1,3,4,5,6,6-hexabromohex-1-ene has a molecular weight of 557.54 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,6-hexabromohex-1-ene is sourced from PubChem (CID 173448771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).