(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene

C8H6Br2 — CID 10587523

IUPAC(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene
SMILESBr/C=c1\cccc\c1=C/Br
InChIInChI=1S/C8H6Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H/b7-5+,8-6+
InChIKeyGSQFJPHKOAEBOD-KQQUZDAGSA-N
MW261.94 g/mol
LogP1.95
Rot. Bonds

About (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene

(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene (PubChem CID 10587523) has the molecular formula C8H6Br2 and a molecular weight of 261.94 g/mol. Its IUPAC name is (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene
PubChem CID10587523
Molecular FormulaC8H6Br2
Molecular Weight261.94 g/mol
Exact Mass259.88
IUPAC Name(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene
SMILESBr/C=c1\cccc\c1=C/Br
InChIInChI=1S/C8H6Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H/b7-5+,8-6+
InChIKeyGSQFJPHKOAEBOD-KQQUZDAGSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.94
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene?
The IUPAC name of (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene (CID 10587523) is (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene.
What is the SMILES notation for (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene?
The canonical SMILES for (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene is Br/C=c1\cccc\c1=C/Br.
What is the InChIKey of (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene?
The InChIKey is GSQFJPHKOAEBOD-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H6Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H/b7-5+,8-6+.
What are the key properties of (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene?
(5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene has a molecular weight of 261.94 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5,6-bis(bromomethylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 10587523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).