1-(7-bromoheptyl)-2-ethenylbenzene

C15H21Br — CID 22468213

IUPAC1-(7-bromoheptyl)-2-ethenylbenzene
SMILESC=Cc1ccccc1CCCCCCCBr
InChIInChI=1S/C15H21Br/c1-2-14-10-7-8-12-15(14)11-6-4-3-5-9-13-16/h2,7-8,10,12H,1,3-6,9,11,13H2
InChIKeyUURSOIVRILCJLS-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.22
Rot. Bonds8

About 1-(7-bromoheptyl)-2-ethenylbenzene

1-(7-bromoheptyl)-2-ethenylbenzene (PubChem CID 22468213) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(7-bromoheptyl)-2-ethenylbenzene.

Molecular Properties

Compound Name1-(7-bromoheptyl)-2-ethenylbenzene
PubChem CID22468213
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-(7-bromoheptyl)-2-ethenylbenzene
SMILESC=Cc1ccccc1CCCCCCCBr
InChIInChI=1S/C15H21Br/c1-2-14-10-7-8-12-15(14)11-6-4-3-5-9-13-16/h2,7-8,10,12H,1,3-6,9,11,13H2
InChIKeyUURSOIVRILCJLS-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.22
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

1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
2-(7-bromoheptyl)benzaldehyde
CID 15617526
1-(5-bromopentyl)-4-ethenylnaphthalene
CID 139944501
1-ethenyl-2-pentylbenzene
CID 22171756
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
1-(8-bromooctyl)-2-butylbenzene
CID 18786581
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoheptyl)-2-ethenylbenzene?
The IUPAC name of 1-(7-bromoheptyl)-2-ethenylbenzene (CID 22468213) is 1-(7-bromoheptyl)-2-ethenylbenzene.
What is the SMILES notation for 1-(7-bromoheptyl)-2-ethenylbenzene?
The canonical SMILES for 1-(7-bromoheptyl)-2-ethenylbenzene is C=Cc1ccccc1CCCCCCCBr.
What is the InChIKey of 1-(7-bromoheptyl)-2-ethenylbenzene?
The InChIKey is UURSOIVRILCJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-2-14-10-7-8-12-15(14)11-6-4-3-5-9-13-16/h2,7-8,10,12H,1,3-6,9,11,13H2.
What are the key properties of 1-(7-bromoheptyl)-2-ethenylbenzene?
1-(7-bromoheptyl)-2-ethenylbenzene has a molecular weight of 281.24 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoheptyl)-2-ethenylbenzene is sourced from PubChem (CID 22468213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).