3-(1,2-dibromoethyl)cyclohexa-1,4-diene

C8H10Br2 — CID 69013835

IUPAC3-(1,2-dibromoethyl)cyclohexa-1,4-diene
SMILESBrCC(Br)C1C=CCC=C1
InChIInChI=1S/C8H10Br2/c9-6-8(10)7-4-2-1-3-5-7/h2-5,7-8H,1,6H2
InChIKeyKSRIVZZCJOSSDM-UHFFFAOYSA-N
MW265.98 g/mol
LogP3.28
Rot. Bonds2

About 3-(1,2-dibromoethyl)cyclohexa-1,4-diene

3-(1,2-dibromoethyl)cyclohexa-1,4-diene (PubChem CID 69013835) has the molecular formula C8H10Br2 and a molecular weight of 265.98 g/mol. Its IUPAC name is 3-(1,2-dibromoethyl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-(1,2-dibromoethyl)cyclohexa-1,4-diene
PubChem CID69013835
Molecular FormulaC8H10Br2
Molecular Weight265.98 g/mol
Exact Mass263.91
IUPAC Name3-(1,2-dibromoethyl)cyclohexa-1,4-diene
SMILESBrCC(Br)C1C=CCC=C1
InChIInChI=1S/C8H10Br2/c9-6-8(10)7-4-2-1-3-5-7/h2-5,7-8H,1,6H2
InChIKeyKSRIVZZCJOSSDM-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.98
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dibromoethyl)cyclohexa-1,4-diene?
The IUPAC name of 3-(1,2-dibromoethyl)cyclohexa-1,4-diene (CID 69013835) is 3-(1,2-dibromoethyl)cyclohexa-1,4-diene.
What is the SMILES notation for 3-(1,2-dibromoethyl)cyclohexa-1,4-diene?
The canonical SMILES for 3-(1,2-dibromoethyl)cyclohexa-1,4-diene is BrCC(Br)C1C=CCC=C1.
What is the InChIKey of 3-(1,2-dibromoethyl)cyclohexa-1,4-diene?
The InChIKey is KSRIVZZCJOSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2/c9-6-8(10)7-4-2-1-3-5-7/h2-5,7-8H,1,6H2.
What are the key properties of 3-(1,2-dibromoethyl)cyclohexa-1,4-diene?
3-(1,2-dibromoethyl)cyclohexa-1,4-diene has a molecular weight of 265.98 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dibromoethyl)cyclohexa-1,4-diene is sourced from PubChem (CID 69013835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).