(2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene

C10H13Br2Cl3 — CID 11452326

IUPAC(2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene
SMILESC/C(=C/C(Cl)Cl)C(Br)/C=C/C(C)(Cl)CBr
InChIInChI=1S/C10H13Br2Cl3/c1-7(5-9(13)14)8(12)3-4-10(2,15)6-11/h3-5,8-9H,6H2,1-2H3/b4-3+,7-5-
InChIKeyXYWJXYNATGBZQB-BZDQXIRASA-N
MW399.38 g/mol
LogP5.45
Rot. Bonds5

About (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene

(2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene (PubChem CID 11452326) has the molecular formula C10H13Br2Cl3 and a molecular weight of 399.38 g/mol. Its IUPAC name is (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene.

Molecular Properties

Compound Name(2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene
PubChem CID11452326
Molecular FormulaC10H13Br2Cl3
Molecular Weight399.38 g/mol
Exact Mass395.84
IUPAC Name(2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene
SMILESC/C(=C/C(Cl)Cl)C(Br)/C=C/C(C)(Cl)CBr
InChIInChI=1S/C10H13Br2Cl3/c1-7(5-9(13)14)8(12)3-4-10(2,15)6-11/h3-5,8-9H,6H2,1-2H3/b4-3+,7-5-
InChIKeyXYWJXYNATGBZQB-BZDQXIRASA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 55.45
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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Related Compounds

(5E)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 21630813
(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
(1E,3R,4S,5E,7S)-1,8,8-tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 23425271
1,5-Octadiene, 1,8-dibromo-3,4,7-trichloro-3,7-dimethyl-, (E,E)-
CID 5251709
(3S,5S,E)-3,5-Dibromo-8-chloro-2,6-dimethyl-1,6-octadiene
CID 21630815
8-Bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 71404228
1,8,8-Tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 74051468
(3S,5E,7S)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 162877030
(3R,5E,7S)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 162877031
(3S,4R,5E,7R)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
CID 162902032
(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
CID 162957214

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene?
The IUPAC name of (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene (CID 11452326) is (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene.
What is the SMILES notation for (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene?
The canonical SMILES for (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene is C/C(=C/C(Cl)Cl)C(Br)/C=C/C(C)(Cl)CBr.
What is the InChIKey of (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene?
The InChIKey is XYWJXYNATGBZQB-BZDQXIRASA-N. The full InChI is InChI=1S/C10H13Br2Cl3/c1-7(5-9(13)14)8(12)3-4-10(2,15)6-11/h3-5,8-9H,6H2,1-2H3/b4-3+,7-5-.
What are the key properties of (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene?
(2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene has a molecular weight of 399.38 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-4,8-dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene is sourced from PubChem (CID 11452326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).