5,6-dibromohexa-1,3-diene

C6H8Br2 — CID 90770193

IUPAC5,6-dibromohexa-1,3-diene
SMILESC=CC=CC(Br)CBr
InChIInChI=1S/C6H8Br2/c1-2-3-4-6(8)5-7/h2-4,6H,1,5H2
InChIKeySTNACBQDNBSSRT-UHFFFAOYSA-N
MW239.94 g/mol
LogP2.89
Rot. Bonds3

About 5,6-dibromohexa-1,3-diene

5,6-dibromohexa-1,3-diene (PubChem CID 90770193) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is 5,6-dibromohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dibromohexa-1,3-diene
PubChem CID90770193
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name5,6-dibromohexa-1,3-diene
SMILESC=CC=CC(Br)CBr
InChIInChI=1S/C6H8Br2/c1-2-3-4-6(8)5-7/h2-4,6H,1,5H2
InChIKeySTNACBQDNBSSRT-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dien-1-ol
CID 102150887
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
5-ethyl-6-methylhepta-1,3-diene
CID 91204773
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
2-buta-1,3-dienylbutane-1,4-diamine
CID 123937470
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
(5E)-4-methylocta-5,7-dien-3-ol
CID 15579187
5-methylnona-1,3-diene
CID 90893682
[1,4-dibromo-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]-tris(prop-2-enyl)azanium
CID 91999412
(2R,3R,4E)-hepta-4,6-diene-2,3-diol
CID 156581778
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromohexa-1,3-diene?
The IUPAC name of 5,6-dibromohexa-1,3-diene (CID 90770193) is 5,6-dibromohexa-1,3-diene.
What is the SMILES notation for 5,6-dibromohexa-1,3-diene?
The canonical SMILES for 5,6-dibromohexa-1,3-diene is C=CC=CC(Br)CBr.
What is the InChIKey of 5,6-dibromohexa-1,3-diene?
The InChIKey is STNACBQDNBSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2/c1-2-3-4-6(8)5-7/h2-4,6H,1,5H2.
What are the key properties of 5,6-dibromohexa-1,3-diene?
5,6-dibromohexa-1,3-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 5,6-dibromohexa-1,3-diene is sourced from PubChem (CID 90770193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).