[(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene

C11H13BrSe — CID 102151639

IUPAC[(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene
SMILESC/C(=C\C[Se]c1ccccc1)CBr
InChIInChI=1S/C11H13BrSe/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7+
InChIKeyZWLNUDFNWQWBPU-JXMROGBWSA-N
MW304.09 g/mol
LogP2.78
Rot. Bonds4

About [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene

[(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene (PubChem CID 102151639) has the molecular formula C11H13BrSe and a molecular weight of 304.09 g/mol. Its IUPAC name is [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene.

Molecular Properties

Compound Name[(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene
PubChem CID102151639
Molecular FormulaC11H13BrSe
Molecular Weight304.09 g/mol
Exact Mass303.94
IUPAC Name[(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene
SMILESC/C(=C\C[Se]c1ccccc1)CBr
InChIInChI=1S/C11H13BrSe/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7+
InChIKeyZWLNUDFNWQWBPU-JXMROGBWSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol
CID 71412008
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3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
CID 11097089
3,3-dimethyl-1-phenylselanylbutan-2-one
CID 11357271
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
2-methylpropylselanylbenzene
CID 12544088
1-(3-bromo-2-methylprop-1-enyl)naphthalene
CID 79323656
[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
CID 102573736
5-bromo-4-phenylpent-3-en-2-one
CID 54089835

Frequently Asked Questions

What is the IUPAC name of [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene?
The IUPAC name of [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene (CID 102151639) is [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene.
What is the SMILES notation for [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene?
The canonical SMILES for [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene is C/C(=C\C[Se]c1ccccc1)CBr.
What is the InChIKey of [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene?
The InChIKey is ZWLNUDFNWQWBPU-JXMROGBWSA-N. The full InChI is InChI=1S/C11H13BrSe/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7+.
What are the key properties of [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene?
[(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene has a molecular weight of 304.09 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-bromo-3-methylbut-2-enyl]selanylbenzene is sourced from PubChem (CID 102151639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).