1-bromohex-5-enylbenzene

C12H15Br — CID 13296849

IUPAC1-bromohex-5-enylbenzene
SMILESC=CCCCC(Br)c1ccccc1
InChIInChI=1S/C12H15Br/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2,4,6-9,12H,1,3,5,10H2
InChIKeyAGYYVSSKQLXJRJ-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.48
Rot. Bonds5

About 1-bromohex-5-enylbenzene

1-bromohex-5-enylbenzene (PubChem CID 13296849) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromohex-5-enylbenzene.

Molecular Properties

Compound Name1-bromohex-5-enylbenzene
PubChem CID13296849
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromohex-5-enylbenzene
SMILESC=CCCCC(Br)c1ccccc1
InChIInChI=1S/C12H15Br/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2,4,6-9,12H,1,3,5,10H2
InChIKeyAGYYVSSKQLXJRJ-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-1-phenylhex-5-en-1-amine
CID 143899130
(1E)-N-hydroxy-2-phenylhept-6-enimidoyl bromide
CID 100965081
1-(1-methoxyhex-5-enyl)-4-phenylbenzene
CID 163855883
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
5-bromo-5-phenylpentanoic acid
CID 174858341
(1-bromo-6-methylhept-6-enyl)benzene
CID 114477375
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
2-phenyldec-9-en-1-amine
CID 107010668
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015

Frequently Asked Questions

What is the IUPAC name of 1-bromohex-5-enylbenzene?
The IUPAC name of 1-bromohex-5-enylbenzene (CID 13296849) is 1-bromohex-5-enylbenzene.
What is the SMILES notation for 1-bromohex-5-enylbenzene?
The canonical SMILES for 1-bromohex-5-enylbenzene is C=CCCCC(Br)c1ccccc1.
What is the InChIKey of 1-bromohex-5-enylbenzene?
The InChIKey is AGYYVSSKQLXJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2,4,6-9,12H,1,3,5,10H2.
What are the key properties of 1-bromohex-5-enylbenzene?
1-bromohex-5-enylbenzene has a molecular weight of 239.16 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohex-5-enylbenzene is sourced from PubChem (CID 13296849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).