1,3,4,6-tetrabromohex-3-ene

C6H8Br4 — CID 57158749

IUPAC1,3,4,6-tetrabromohex-3-ene
SMILESBrCCC(Br)=C(Br)CCBr
InChIInChI=1S/C6H8Br4/c7-3-1-5(9)6(10)2-4-8/h1-4H2
InChIKeyKNAKXKFQHJYWLJ-UHFFFAOYSA-N
MW399.75 g/mol
LogP4.56
Rot. Bonds4

About 1,3,4,6-tetrabromohex-3-ene

1,3,4,6-tetrabromohex-3-ene (PubChem CID 57158749) has the molecular formula C6H8Br4 and a molecular weight of 399.75 g/mol. Its IUPAC name is 1,3,4,6-tetrabromohex-3-ene.

Molecular Properties

Compound Name1,3,4,6-tetrabromohex-3-ene
PubChem CID57158749
Molecular FormulaC6H8Br4
Molecular Weight399.75 g/mol
Exact Mass395.74
IUPAC Name1,3,4,6-tetrabromohex-3-ene
SMILESBrCCC(Br)=C(Br)CCBr
InChIInChI=1S/C6H8Br4/c7-3-1-5(9)6(10)2-4-8/h1-4H2
InChIKeyKNAKXKFQHJYWLJ-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.75
LogP ≤ 54.56
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 1,3,4,6-tetrabromohex-3-ene?
The IUPAC name of 1,3,4,6-tetrabromohex-3-ene (CID 57158749) is 1,3,4,6-tetrabromohex-3-ene.
What is the SMILES notation for 1,3,4,6-tetrabromohex-3-ene?
The canonical SMILES for 1,3,4,6-tetrabromohex-3-ene is BrCCC(Br)=C(Br)CCBr.
What is the InChIKey of 1,3,4,6-tetrabromohex-3-ene?
The InChIKey is KNAKXKFQHJYWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br4/c7-3-1-5(9)6(10)2-4-8/h1-4H2.
What are the key properties of 1,3,4,6-tetrabromohex-3-ene?
1,3,4,6-tetrabromohex-3-ene has a molecular weight of 399.75 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrabromohex-3-ene is sourced from PubChem (CID 57158749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).