(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene

C12H16Br2 — CID 58730092

IUPAC(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
SMILESCC(=C\Br)/C(C)=C/C=C(C)/C(C)=C/Br
InChIInChI=1S/C12H16Br2/c1-9(11(3)7-13)5-6-10(2)12(4)8-14/h5-8H,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyVOYJGZCIZRRVEO-HFBXSBKTSA-N
MW320.07 g/mol
LogP5.48
Rot. Bonds3

About (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene

(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene (PubChem CID 58730092) has the molecular formula C12H16Br2 and a molecular weight of 320.07 g/mol. Its IUPAC name is (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
PubChem CID58730092
Molecular FormulaC12H16Br2
Molecular Weight320.07 g/mol
Exact Mass317.96
IUPAC Name(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
SMILESCC(=C\Br)/C(C)=C/C=C(C)/C(C)=C/Br
InChIInChI=1S/C12H16Br2/c1-9(11(3)7-13)5-6-10(2)12(4)8-14/h5-8H,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyVOYJGZCIZRRVEO-HFBXSBKTSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.07
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
The IUPAC name of (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene (CID 58730092) is (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene.
What is the SMILES notation for (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
The canonical SMILES for (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene is CC(=C\Br)/C(C)=C/C=C(C)/C(C)=C/Br.
What is the InChIKey of (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
The InChIKey is VOYJGZCIZRRVEO-HFBXSBKTSA-N. The full InChI is InChI=1S/C12H16Br2/c1-9(11(3)7-13)5-6-10(2)12(4)8-14/h5-8H,1-4H3/b9-5+,10-6+,11-7+,12-8+.
What are the key properties of (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene?
(1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene has a molecular weight of 320.07 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E)-1,8-dibromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene is sourced from PubChem (CID 58730092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).