6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene

C10H13BrCl2 — CID 73037992

IUPAC6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene
SMILESC=C(Cl)C(=CCl)CCC(Br)=C(C)C
InChIInChI=1S/C10H13BrCl2/c1-7(2)10(11)5-4-9(6-12)8(3)13/h6H,3-5H2,1-2H3
InChIKeyDQLQSCIFAZPZCB-UHFFFAOYSA-N
MW284.02 g/mol
LogP5.33
Rot. Bonds4

About 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene

6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene (PubChem CID 73037992) has the molecular formula C10H13BrCl2 and a molecular weight of 284.02 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene.

Molecular Properties

Compound Name6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene
PubChem CID73037992
Molecular FormulaC10H13BrCl2
Molecular Weight284.02 g/mol
Exact Mass281.96
IUPAC Name6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene
SMILESC=C(Cl)C(=CCl)CCC(Br)=C(C)C
InChIInChI=1S/C10H13BrCl2/c1-7(2)10(11)5-4-9(6-12)8(3)13/h6H,3-5H2,1-2H3
InChIKeyDQLQSCIFAZPZCB-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.02
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene?
The IUPAC name of 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene (CID 73037992) is 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene.
What is the SMILES notation for 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene?
The canonical SMILES for 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene is C=C(Cl)C(=CCl)CCC(Br)=C(C)C.
What is the InChIKey of 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene?
The InChIKey is DQLQSCIFAZPZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2/c1-7(2)10(11)5-4-9(6-12)8(3)13/h6H,3-5H2,1-2H3.
What are the key properties of 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene?
6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene has a molecular weight of 284.02 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene is sourced from PubChem (CID 73037992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).