[(E)-2-bromo-2-iodoethenyl]cyclohexane

C8H12BrI — CID 134985907

IUPAC[(E)-2-bromo-2-iodoethenyl]cyclohexane
SMILESBr/C(I)=C\C1CCCCC1
InChIInChI=1S/C8H12BrI/c9-8(10)6-7-4-2-1-3-5-7/h6-7H,1-5H2/b8-6+
InChIKeyOMUGVWOQJKEPHD-SOFGYWHQSA-N
MW314.99 g/mol
LogP4.24
Rot. Bonds1

About [(E)-2-bromo-2-iodoethenyl]cyclohexane

[(E)-2-bromo-2-iodoethenyl]cyclohexane (PubChem CID 134985907) has the molecular formula C8H12BrI and a molecular weight of 314.99 g/mol. Its IUPAC name is [(E)-2-bromo-2-iodoethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-bromo-2-iodoethenyl]cyclohexane
PubChem CID134985907
Molecular FormulaC8H12BrI
Molecular Weight314.99 g/mol
Exact Mass313.92
IUPAC Name[(E)-2-bromo-2-iodoethenyl]cyclohexane
SMILESBr/C(I)=C\C1CCCCC1
InChIInChI=1S/C8H12BrI/c9-8(10)6-7-4-2-1-3-5-7/h6-7H,1-5H2/b8-6+
InChIKeyOMUGVWOQJKEPHD-SOFGYWHQSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.99
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-2-iodoethenyl]cyclohexane?
The IUPAC name of [(E)-2-bromo-2-iodoethenyl]cyclohexane (CID 134985907) is [(E)-2-bromo-2-iodoethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-bromo-2-iodoethenyl]cyclohexane?
The canonical SMILES for [(E)-2-bromo-2-iodoethenyl]cyclohexane is Br/C(I)=C\C1CCCCC1.
What is the InChIKey of [(E)-2-bromo-2-iodoethenyl]cyclohexane?
The InChIKey is OMUGVWOQJKEPHD-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12BrI/c9-8(10)6-7-4-2-1-3-5-7/h6-7H,1-5H2/b8-6+.
What are the key properties of [(E)-2-bromo-2-iodoethenyl]cyclohexane?
[(E)-2-bromo-2-iodoethenyl]cyclohexane has a molecular weight of 314.99 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-2-iodoethenyl]cyclohexane is sourced from PubChem (CID 134985907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).