3,4-dibromohexa-1,5-diene

C6H8Br2 — CID 56979743

IUPAC3,4-dibromohexa-1,5-diene
SMILESC=CC(Br)C(Br)C=C
InChIInChI=1S/C6H8Br2/c1-3-5(7)6(8)4-2/h3-6H,1-2H2
InChIKeyNWKWWABQLRRYTJ-UHFFFAOYSA-N
MW239.94 g/mol
LogP2.89
Rot. Bonds3

About 3,4-dibromohexa-1,5-diene

3,4-dibromohexa-1,5-diene (PubChem CID 56979743) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is 3,4-dibromohexa-1,5-diene.

Molecular Properties

Compound Name3,4-dibromohexa-1,5-diene
PubChem CID56979743
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name3,4-dibromohexa-1,5-diene
SMILESC=CC(Br)C(Br)C=C
InChIInChI=1S/C6H8Br2/c1-3-5(7)6(8)4-2/h3-6H,1-2H2
InChIKeyNWKWWABQLRRYTJ-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.94
LogP ≤ 52.89
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 3,4-dibromohexa-1,5-diene?
The IUPAC name of 3,4-dibromohexa-1,5-diene (CID 56979743) is 3,4-dibromohexa-1,5-diene.
What is the SMILES notation for 3,4-dibromohexa-1,5-diene?
The canonical SMILES for 3,4-dibromohexa-1,5-diene is C=CC(Br)C(Br)C=C.
What is the InChIKey of 3,4-dibromohexa-1,5-diene?
The InChIKey is NWKWWABQLRRYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2/c1-3-5(7)6(8)4-2/h3-6H,1-2H2.
What are the key properties of 3,4-dibromohexa-1,5-diene?
3,4-dibromohexa-1,5-diene has a molecular weight of 239.94 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromohexa-1,5-diene is sourced from PubChem (CID 56979743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).