1-bromo-4-non-2-en-3-ylbenzene

C15H21Br — CID 150309996

IUPAC1-bromo-4-non-2-en-3-ylbenzene
SMILESCC=C(CCCCCC)c1ccc(Br)cc1
InChIInChI=1S/C15H21Br/c1-3-5-6-7-8-13(4-2)14-9-11-15(16)12-10-14/h4,9-12H,3,5-8H2,1-2H3
InChIKeyGLKGNIYANOAVCN-UHFFFAOYSA-N
MW281.24 g/mol
LogP5.82
Rot. Bonds6

About 1-bromo-4-non-2-en-3-ylbenzene

1-bromo-4-non-2-en-3-ylbenzene (PubChem CID 150309996) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-bromo-4-non-2-en-3-ylbenzene.

Molecular Properties

Compound Name1-bromo-4-non-2-en-3-ylbenzene
PubChem CID150309996
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-bromo-4-non-2-en-3-ylbenzene
SMILESCC=C(CCCCCC)c1ccc(Br)cc1
InChIInChI=1S/C15H21Br/c1-3-5-6-7-8-13(4-2)14-9-11-15(16)12-10-14/h4,9-12H,3,5-8H2,1-2H3
InChIKeyGLKGNIYANOAVCN-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.82
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

1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
[(E)-hept-2-en-3-yl]benzene
CID 14568345
N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide
CID 4153285
1-[(E)-1-bromoundec-3-en-4-yl]-4-methylbenzene
CID 134995574
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
(E)-1-(4-bromophenyl)dec-2-en-1-one
CID 122377174
4-bromo-N-hexadecylbenzamide
CID 54791037
octadecyl 4-bromobenzoate
CID 543643
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-non-2-en-3-ylbenzene?
The IUPAC name of 1-bromo-4-non-2-en-3-ylbenzene (CID 150309996) is 1-bromo-4-non-2-en-3-ylbenzene.
What is the SMILES notation for 1-bromo-4-non-2-en-3-ylbenzene?
The canonical SMILES for 1-bromo-4-non-2-en-3-ylbenzene is CC=C(CCCCCC)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-non-2-en-3-ylbenzene?
The InChIKey is GLKGNIYANOAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-3-5-6-7-8-13(4-2)14-9-11-15(16)12-10-14/h4,9-12H,3,5-8H2,1-2H3.
What are the key properties of 1-bromo-4-non-2-en-3-ylbenzene?
1-bromo-4-non-2-en-3-ylbenzene has a molecular weight of 281.24 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-non-2-en-3-ylbenzene is sourced from PubChem (CID 150309996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).