(1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene

C10H12Br2Cl4 — CID 6440283

IUPAC(1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
SMILESCC(Cl)(/C=C/Br)C(Cl)/C=C/C(Cl)(CCl)CBr
InChIInChI=1S/C10H12Br2Cl4/c1-9(15,4-5-11)8(14)2-3-10(16,6-12)7-13/h2-5,8H,6-7H2,1H3/b3-2+,5-4+
InChIKeySJCGVABXUCTGDH-MQQKCMAXSA-N
MW433.83 g/mol
LogP5.67
Rot. Bonds6

About (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene

(1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene (PubChem CID 6440283) has the molecular formula C10H12Br2Cl4 and a molecular weight of 433.83 g/mol. Its IUPAC name is (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
PubChem CID6440283
Molecular FormulaC10H12Br2Cl4
Molecular Weight433.83 g/mol
Exact Mass429.81
IUPAC Name(1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
SMILESCC(Cl)(/C=C/Br)C(Cl)/C=C/C(Cl)(CCl)CBr
InChIInChI=1S/C10H12Br2Cl4/c1-9(15,4-5-11)8(14)2-3-10(16,6-12)7-13/h2-5,8H,6-7H2,1H3/b3-2+,5-4+
InChIKeySJCGVABXUCTGDH-MQQKCMAXSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.83
LogP ≤ 55.67
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'}

Analyze (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene with MolForge

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Related Compounds

(E)-(2S,5S,6S,7S)-1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-oct-3-ene
CID 6475607
(1E,3R,4S,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
CID 21630857
(E)-(3R,4S,7S)-4,8-Dibromo-3,7-dichloro-3,7-dimethyl-octa-1,5-diene
CID 6475603
(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethyl-octa-1,5-diene
CID 6475604
(3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)-6-methylocta-1,3,7-triene
CID 14805232
(1E,3R,4S,5E,7S)-1,8,8-tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 23425271
(1E,3E,5S,6S,7E)-8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 44583705
(1E,3R,4S,5E,7S)-1-bromo-3,4,7,8-tetrachloro-3,7-dimethylocta-1,5-diene
CID 642192
(1E,3E,5S,6R,7E)-8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 10023075
(1Z,3E,5R,6R,7E)-1,8-dibromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene
CID 21630824
(1Z,3E,5S,6R,7E)-1,8-dibromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene
CID 21630825
7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene
CID 5387751

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene?
The IUPAC name of (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene (CID 6440283) is (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene.
What is the SMILES notation for (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene?
The canonical SMILES for (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene is CC(Cl)(/C=C/Br)C(Cl)/C=C/C(Cl)(CCl)CBr.
What is the InChIKey of (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene?
The InChIKey is SJCGVABXUCTGDH-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H12Br2Cl4/c1-9(15,4-5-11)8(14)2-3-10(16,6-12)7-13/h2-5,8H,6-7H2,1H3/b3-2+,5-4+.
What are the key properties of (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene?
(1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene has a molecular weight of 433.83 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene is sourced from PubChem (CID 6440283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).