3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene

C10H14Br2Cl2 — CID 72802291

IUPAC3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene
SMILESC=C(C)C(Br)CC(Br)C(C)=CC(Cl)Cl
InChIInChI=1S/C10H14Br2Cl2/c1-6(2)8(11)5-9(12)7(3)4-10(13)14/h4,8-10H,1,5H2,2-3H3
InChIKeyKQHIOMQBBGDCNC-UHFFFAOYSA-N
MW364.94 g/mol
LogP5.23
Rot. Bonds5

About 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene

3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene (PubChem CID 72802291) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene
PubChem CID72802291
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene
SMILESC=C(C)C(Br)CC(Br)C(C)=CC(Cl)Cl
InChIInChI=1S/C10H14Br2Cl2/c1-6(2)8(11)5-9(12)7(3)4-10(13)14/h4,8-10H,1,5H2,2-3H3
InChIKeyKQHIOMQBBGDCNC-UHFFFAOYSA-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
(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
(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
(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889885
(2E,4R,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889886
(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene
CID 162896224
(3S,6Z)-3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
CID 163037653
(3R,6Z)-3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
CID 163037654

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene?
The IUPAC name of 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene (CID 72802291) is 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene.
What is the SMILES notation for 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene?
The canonical SMILES for 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene is C=C(C)C(Br)CC(Br)C(C)=CC(Cl)Cl.
What is the InChIKey of 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene?
The InChIKey is KQHIOMQBBGDCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2Cl2/c1-6(2)8(11)5-9(12)7(3)4-10(13)14/h4,8-10H,1,5H2,2-3H3.
What are the key properties of 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene?
3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-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 3,5-dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene is sourced from PubChem (CID 72802291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).