[(E)-6-bromohex-1-enyl]benzene

C12H15Br — CID 11172477

IUPAC[(E)-6-bromohex-1-enyl]benzene
SMILESBrCCCC/C=C/c1ccccc1
InChIInChI=1S/C12H15Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3-6,8-10H,1-2,7,11H2/b8-4+
InChIKeyHXQXSNNOGXXMLU-XBXARRHUSA-N
MW239.16 g/mol
LogP4.26
Rot. Bonds5

About [(E)-6-bromohex-1-enyl]benzene

[(E)-6-bromohex-1-enyl]benzene (PubChem CID 11172477) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is [(E)-6-bromohex-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-6-bromohex-1-enyl]benzene
PubChem CID11172477
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name[(E)-6-bromohex-1-enyl]benzene
SMILESBrCCCC/C=C/c1ccccc1
InChIInChI=1S/C12H15Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3-6,8-10H,1-2,7,11H2/b8-4+
InChIKeyHXQXSNNOGXXMLU-XBXARRHUSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.26
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'}

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Related Compounds

[(E)-5-bromopent-1-enyl]benzene
CID 10977131
1,2-bis(ethenyl)benzene;6-bromohex-1-enylbenzene
CID 162211606
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-9-phenylnon-8-en-1-ol
CID 10489025
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
6-phenylhex-5-enoxysilane
CID 123359434
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701
5-phenoxypent-1-enylbenzene
CID 173201484
6-phenylhex-5-enyl formate
CID 91069626
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of [(E)-6-bromohex-1-enyl]benzene?
The IUPAC name of [(E)-6-bromohex-1-enyl]benzene (CID 11172477) is [(E)-6-bromohex-1-enyl]benzene.
What is the SMILES notation for [(E)-6-bromohex-1-enyl]benzene?
The canonical SMILES for [(E)-6-bromohex-1-enyl]benzene is BrCCCC/C=C/c1ccccc1.
What is the InChIKey of [(E)-6-bromohex-1-enyl]benzene?
The InChIKey is HXQXSNNOGXXMLU-XBXARRHUSA-N. The full InChI is InChI=1S/C12H15Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3-6,8-10H,1-2,7,11H2/b8-4+.
What are the key properties of [(E)-6-bromohex-1-enyl]benzene?
[(E)-6-bromohex-1-enyl]benzene has a molecular weight of 239.16 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-bromohex-1-enyl]benzene is sourced from PubChem (CID 11172477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).