[(E)-5-bromopent-1-enyl]benzene

C11H13Br — CID 10977131

IUPAC[(E)-5-bromopent-1-enyl]benzene
SMILESBrCCC/C=C/c1ccccc1
InChIInChI=1S/C11H13Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+
InChIKeyTZRQBRODRXBKDJ-WEVVVXLNSA-N
MW225.13 g/mol
LogP3.87
Rot. Bonds4

About [(E)-5-bromopent-1-enyl]benzene

[(E)-5-bromopent-1-enyl]benzene (PubChem CID 10977131) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is [(E)-5-bromopent-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-bromopent-1-enyl]benzene
PubChem CID10977131
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name[(E)-5-bromopent-1-enyl]benzene
SMILESBrCCC/C=C/c1ccccc1
InChIInChI=1S/C11H13Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+
InChIKeyTZRQBRODRXBKDJ-WEVVVXLNSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-5-bromopent-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-6-bromohex-1-enyl]benzene
CID 11172477
1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
CID 162211606
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-9-phenylnon-8-en-1-ol
CID 10489025
5-phenoxypent-1-enylbenzene
CID 173201484
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
hex-1-enylbenzene;prop-1-ene
CID 157442084
5-ethoxypent-1-enylbenzene
CID 54285670
6-phenylhex-5-enoxysilane
CID 123359434
(NE)-N-[(Z)-6-phenylhex-5-enylidene]hydroxylamine
CID 177427914

Frequently Asked Questions

What is the IUPAC name of [(E)-5-bromopent-1-enyl]benzene?
The IUPAC name of [(E)-5-bromopent-1-enyl]benzene (CID 10977131) is [(E)-5-bromopent-1-enyl]benzene.
What is the SMILES notation for [(E)-5-bromopent-1-enyl]benzene?
The canonical SMILES for [(E)-5-bromopent-1-enyl]benzene is BrCCC/C=C/c1ccccc1.
What is the InChIKey of [(E)-5-bromopent-1-enyl]benzene?
The InChIKey is TZRQBRODRXBKDJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H13Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+.
What are the key properties of [(E)-5-bromopent-1-enyl]benzene?
[(E)-5-bromopent-1-enyl]benzene has a molecular weight of 225.13 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-bromopent-1-enyl]benzene is sourced from PubChem (CID 10977131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).