(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene

C10H14Br3Cl3 — CID 6475607

IUPAC(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene
SMILESC[C@](Cl)([C@@H](Br)/C=C/[C@](C)(Cl)CBr)[C@@H](Br)CCl
InChIInChI=1S/C10H14Br3Cl3/c1-9(15,6-11)4-3-7(12)10(2,16)8(13)5-14/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-,9-,10-/m0/s1
InChIKeyPHKONGFYKSGPSW-DIAJGAPXSA-N
MW480.29 g/mol
LogP5.70
Rot. Bonds6

About (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene

(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene (PubChem CID 6475607) has the molecular formula C10H14Br3Cl3 and a molecular weight of 480.29 g/mol. Its IUPAC name is (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene.

Molecular Properties

Compound Name(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene
PubChem CID6475607
Molecular FormulaC10H14Br3Cl3
Molecular Weight480.29 g/mol
Exact Mass475.77
IUPAC Name(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene
SMILESC[C@](Cl)([C@@H](Br)/C=C/[C@](C)(Cl)CBr)[C@@H](Br)CCl
InChIInChI=1S/C10H14Br3Cl3/c1-9(15,6-11)4-3-7(12)10(2,16)8(13)5-14/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-,9-,10-/m0/s1
InChIKeyPHKONGFYKSGPSW-DIAJGAPXSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 55.70
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 (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene with MolForge

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Related Compounds

(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
(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 23427000
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
1,7-Dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 74052094
(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
(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
CID 163042741

Frequently Asked Questions

What is the IUPAC name of (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene?
The IUPAC name of (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene (CID 6475607) is (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene.
What is the SMILES notation for (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene?
The canonical SMILES for (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene is C[C@](Cl)([C@@H](Br)/C=C/[C@](C)(Cl)CBr)[C@@H](Br)CCl.
What is the InChIKey of (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene?
The InChIKey is PHKONGFYKSGPSW-DIAJGAPXSA-N. The full InChI is InChI=1S/C10H14Br3Cl3/c1-9(15,6-11)4-3-7(12)10(2,16)8(13)5-14/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-,9-,10-/m0/s1.
What are the key properties of (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene?
(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene has a molecular weight of 480.29 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene is sourced from PubChem (CID 6475607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).