[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene

C14H15BrSe — CID 46832176

IUPAC[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene
SMILESBr/C(=C/[Se]c1ccccc1)C1=CCCCC1
InChIInChI=1S/C14H15BrSe/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-7,9-11H,1,3-4,8H2/b14-11+
InChIKeyBYWXIRJKLPFLSQ-SDNWHVSQSA-N
MW342.14 g/mol
LogP3.75
Rot. Bonds3

About [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene

[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene (PubChem CID 46832176) has the molecular formula C14H15BrSe and a molecular weight of 342.14 g/mol. Its IUPAC name is [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene.

Molecular Properties

Compound Name[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene
PubChem CID46832176
Molecular FormulaC14H15BrSe
Molecular Weight342.14 g/mol
Exact Mass341.95
IUPAC Name[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene
SMILESBr/C(=C/[Se]c1ccccc1)C1=CCCCC1
InChIInChI=1S/C14H15BrSe/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-7,9-11H,1,3-4,8H2/b14-11+
InChIKeyBYWXIRJKLPFLSQ-SDNWHVSQSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene?
The IUPAC name of [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene (CID 46832176) is [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene.
What is the SMILES notation for [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene?
The canonical SMILES for [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene is Br/C(=C/[Se]c1ccccc1)C1=CCCCC1.
What is the InChIKey of [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene?
The InChIKey is BYWXIRJKLPFLSQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H15BrSe/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-7,9-11H,1,3-4,8H2/b14-11+.
What are the key properties of [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene?
[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene has a molecular weight of 342.14 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene is sourced from PubChem (CID 46832176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).