(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene

C10H15Br2Cl3 — CID 23427000

IUPAC(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
SMILESC/C(=C\C[C@@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)CBr
InChIInChI=1S/C10H15Br2Cl3/c1-7(8(14)5-11)3-4-9(15)10(2,12)6-13/h3,8-9H,4-6H2,1-2H3/b7-3+/t8-,9+,10-/m0/s1
InChIKeyHHJBRGGJADRQIH-UBDQEAECSA-N
MW401.40 g/mol
LogP5.32
Rot. Bonds6

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

(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene (PubChem CID 23427000) has the molecular formula C10H15Br2Cl3 and a molecular weight of 401.40 g/mol. Its IUPAC name is (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene.

Molecular Properties

Compound Name(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
PubChem CID23427000
Molecular FormulaC10H15Br2Cl3
Molecular Weight401.40 g/mol
Exact Mass397.86
IUPAC Name(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
SMILESC/C(=C\C[C@@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)CBr
InChIInChI=1S/C10H15Br2Cl3/c1-7(8(14)5-11)3-4-9(15)10(2,12)6-13/h3,8-9H,4-6H2,1-2H3/b7-3+/t8-,9+,10-/m0/s1
InChIKeyHHJBRGGJADRQIH-UBDQEAECSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.40
LogP ≤ 55.32
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,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene with MolForge

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Related Compounds

(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
CID 10044349
(E)-(2S,5S,6S,7S)-1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-oct-3-ene
CID 6475607
(5E)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 21630813
(3S)-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
CID 15345661
(2Z)-6-Bromo-3-chloromethyl-1,7-dichloro
CID 14865330
8-Bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 71404228
1,7-Dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 74052094
(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
(1E,3Z,6R)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
CID 162889349
(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
CID 163187390
6-Bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
CID 4680477

Frequently Asked Questions

What is the IUPAC name of (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene?
The IUPAC name of (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene (CID 23427000) is (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene.
What is the SMILES notation for (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene?
The canonical SMILES for (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene is C/C(=C\C[C@@H](Cl)[C@@](C)(Br)CCl)[C@@H](Cl)CBr.
What is the InChIKey of (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene?
The InChIKey is HHJBRGGJADRQIH-UBDQEAECSA-N. The full InChI is InChI=1S/C10H15Br2Cl3/c1-7(8(14)5-11)3-4-9(15)10(2,12)6-13/h3,8-9H,4-6H2,1-2H3/b7-3+/t8-,9+,10-/m0/s1.
What are the key properties of (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene?
(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene has a molecular weight of 401.40 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene is sourced from PubChem (CID 23427000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).