(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene

C10H14Br2Cl2 — CID 162889885

IUPAC(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
SMILESC/C(=C\C[C@H](Br)/C(C)=C/C(Cl)Cl)CBr
InChIInChI=1S/C10H14Br2Cl2/c1-7(6-11)3-4-9(12)8(2)5-10(13)14/h3,5,9-10H,4,6H2,1-2H3/b7-3+,8-5+/t9-/m0/s1
InChIKeyDFVMAXZBJUPYKZ-MABQLFSVSA-N
MW364.94 g/mol
LogP5.23
Rot. Bonds5

About (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene

(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene (PubChem CID 162889885) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
PubChem CID162889885
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
SMILESC/C(=C\C[C@H](Br)/C(C)=C/C(Cl)Cl)CBr
InChIInChI=1S/C10H14Br2Cl2/c1-7(6-11)3-4-9(12)8(2)5-10(13)14/h3,5,9-10H,4,6H2,1-2H3/b7-3+,8-5+/t9-/m0/s1
InChIKeyDFVMAXZBJUPYKZ-MABQLFSVSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.94
LogP ≤ 55.23
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,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 23427000
(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
1,7-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
(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
CID 162957214
1,1-Dichloro-3,7-dimethyl-4,6-dibromo-2,7-octadiene
CID 11326011
(1E,3R,4S,5E)-4,8-dibromo-1,3,7-trichloro-3,7-dimethylocta-1,5-diene
CID 11589386
(E,2R,6R,7S)-1,1,7-tribromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 21630859
(2E,4R,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889886

Frequently Asked Questions

What is the IUPAC name of (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene (CID 162889885) is (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene is C/C(=C\C[C@H](Br)/C(C)=C/C(Cl)Cl)CBr.
What is the InChIKey of (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene?
The InChIKey is DFVMAXZBJUPYKZ-MABQLFSVSA-N. The full InChI is InChI=1S/C10H14Br2Cl2/c1-7(6-11)3-4-9(12)8(2)5-10(13)14/h3,5,9-10H,4,6H2,1-2H3/b7-3+,8-5+/t9-/m0/s1.
What are the key properties of (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene?
(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene has a molecular weight of 364.94 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 162889885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).