(2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene

C10H14Br2 — CID 24974975

IUPAC(2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene
SMILESC/C(=C\C=C\C=C(/C)CBr)CBr
InChIInChI=1S/C10H14Br2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-6H,7-8H2,1-2H3/b4-3+,9-5+,10-6+
InChIKeySDFNLBAGUUMXTA-XLKYRCCQSA-N
MW294.03 g/mol
LogP4.22
Rot. Bonds4

About (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene

(2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene (PubChem CID 24974975) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene
PubChem CID24974975
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name(2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene
SMILESC/C(=C\C=C\C=C(/C)CBr)CBr
InChIInChI=1S/C10H14Br2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-6H,7-8H2,1-2H3/b4-3+,9-5+,10-6+
InChIKeySDFNLBAGUUMXTA-XLKYRCCQSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene (CID 24974975) is (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene is C/C(=C\C=C\C=C(/C)CBr)CBr.
What is the InChIKey of (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene?
The InChIKey is SDFNLBAGUUMXTA-XLKYRCCQSA-N. The full InChI is InChI=1S/C10H14Br2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-6H,7-8H2,1-2H3/b4-3+,9-5+,10-6+.
What are the key properties of (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene?
(2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene has a molecular weight of 294.03 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-1,8-dibromo-2,7-dimethylocta-2,4,6-triene is sourced from PubChem (CID 24974975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).