(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene

C10H13Br3Cl2 — CID 163042741

IUPAC(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
SMILESC[C@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)/C=C/Br)CBr
InChIInChI=1S/C10H13Br3Cl2/c1-9(14,7-12)4-3-8(13)10(2,15)5-6-11/h3-6,8H,7H2,1-2H3/b4-3+,6-5+/t8-,9-,10+/m0/s1
InChIKeyGLSFBAAWNMTDGV-ULZRVHDFSA-N
MW443.83 g/mol
LogP5.60
Rot. Bonds5

About (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene

(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene (PubChem CID 163042741) has the molecular formula C10H13Br3Cl2 and a molecular weight of 443.83 g/mol. Its IUPAC name is (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene.

Molecular Properties

Compound Name(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
PubChem CID163042741
Molecular FormulaC10H13Br3Cl2
Molecular Weight443.83 g/mol
Exact Mass439.79
IUPAC Name(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
SMILESC[C@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)/C=C/Br)CBr
InChIInChI=1S/C10H13Br3Cl2/c1-9(14,7-12)4-3-8(13)10(2,15)5-6-11/h3-6,8H,7H2,1-2H3/b4-3+,6-5+/t8-,9-,10+/m0/s1
InChIKeyGLSFBAAWNMTDGV-ULZRVHDFSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.83
LogP ≤ 55.60
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,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methyl-
CID 6440283
7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene
CID 5387751
1,5-Octadiene, 1,8-dibromo-3,4,7-trichloro-3,7-dimethyl-, (E,E)-
CID 5251709
1,8,8-Tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 74051468
(3S,4R,5E,7R)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
CID 162902032
(1E,3R,4S,5E,7R)-1,8-dibromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 163009442
8-Bromo-1,3,4,7-tetrachloro-3,7-dimethyl-1,5-octadiene
CID 6439779

Frequently Asked Questions

What is the IUPAC name of (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
The IUPAC name of (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene (CID 163042741) is (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene.
What is the SMILES notation for (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
The canonical SMILES for (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene is C[C@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)/C=C/Br)CBr.
What is the InChIKey of (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
The InChIKey is GLSFBAAWNMTDGV-ULZRVHDFSA-N. The full InChI is InChI=1S/C10H13Br3Cl2/c1-9(14,7-12)4-3-8(13)10(2,15)5-6-11/h3-6,8H,7H2,1-2H3/b4-3+,6-5+/t8-,9-,10+/m0/s1.
What are the key properties of (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene has a molecular weight of 443.83 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene is sourced from PubChem (CID 163042741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).