[(E)-5-bromopent-4-enyl]benzene

C11H13Br — CID 15076450

IUPAC[(E)-5-bromopent-4-enyl]benzene
SMILESBr/C=C/CCCc1ccccc1
InChIInChI=1S/C11H13Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2/b10-6+
InChIKeyISYYPACFPMVXTI-UXBLZVDNSA-N
MW225.13 g/mol
LogP3.92
Rot. Bonds4

About [(E)-5-bromopent-4-enyl]benzene

[(E)-5-bromopent-4-enyl]benzene (PubChem CID 15076450) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is [(E)-5-bromopent-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-bromopent-4-enyl]benzene
PubChem CID15076450
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name[(E)-5-bromopent-4-enyl]benzene
SMILESBr/C=C/CCCc1ccccc1
InChIInChI=1S/C11H13Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2/b10-6+
InChIKeyISYYPACFPMVXTI-UXBLZVDNSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 79592715
(E)-6-phenylhex-2-enal
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dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
4-phenylbutylbenzene
CID 141301927
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
5-phenylpent-1-ene-1-sulfonic acid
CID 54140534
[(4Z)-8-methylnona-4,8-dienyl]benzene
CID 10775019
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of [(E)-5-bromopent-4-enyl]benzene?
The IUPAC name of [(E)-5-bromopent-4-enyl]benzene (CID 15076450) is [(E)-5-bromopent-4-enyl]benzene.
What is the SMILES notation for [(E)-5-bromopent-4-enyl]benzene?
The canonical SMILES for [(E)-5-bromopent-4-enyl]benzene is Br/C=C/CCCc1ccccc1.
What is the InChIKey of [(E)-5-bromopent-4-enyl]benzene?
The InChIKey is ISYYPACFPMVXTI-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H13Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2/b10-6+.
What are the key properties of [(E)-5-bromopent-4-enyl]benzene?
[(E)-5-bromopent-4-enyl]benzene has a molecular weight of 225.13 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-bromopent-4-enyl]benzene is sourced from PubChem (CID 15076450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).