[(1E,3E)-3-bromonona-1,3-dienyl]benzene

C15H19Br — CID 135039609

IUPAC[(1E,3E)-3-bromonona-1,3-dienyl]benzene
SMILESCCCCC/C=C(Br)\C=C\c1ccccc1
InChIInChI=1S/C15H19Br/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-13H,2-4,8H2,1H3/b13-12+,15-11+
InChIKeyDIQWRCRFZCJFOO-GLZRVVIGSA-N
MW279.22 g/mol
LogP5.56
Rot. Bonds6

About [(1E,3E)-3-bromonona-1,3-dienyl]benzene

[(1E,3E)-3-bromonona-1,3-dienyl]benzene (PubChem CID 135039609) has the molecular formula C15H19Br and a molecular weight of 279.22 g/mol. Its IUPAC name is [(1E,3E)-3-bromonona-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-3-bromonona-1,3-dienyl]benzene
PubChem CID135039609
Molecular FormulaC15H19Br
Molecular Weight279.22 g/mol
Exact Mass278.07
IUPAC Name[(1E,3E)-3-bromonona-1,3-dienyl]benzene
SMILESCCCCC/C=C(Br)\C=C\c1ccccc1
InChIInChI=1S/C15H19Br/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-13H,2-4,8H2,1H3/b13-12+,15-11+
InChIKeyDIQWRCRFZCJFOO-GLZRVVIGSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.22
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 14452107
trimethyl-[(1E,3Z)-1-phenylocta-1,3-dien-3-yl]oxysilane
CID 134982365
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374
[(E)-octadec-1-enyl]benzene
CID 22722345
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CID 172553874
(7Z,9E)-8-bromoheptadeca-7,9-diene
CID 134932125
pentanoic acid;3-phenylprop-2-enoic acid
CID 130331806
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
CID 58975815
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CID 54155436

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-3-bromonona-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-3-bromonona-1,3-dienyl]benzene (CID 135039609) is [(1E,3E)-3-bromonona-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-3-bromonona-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-3-bromonona-1,3-dienyl]benzene is CCCCC/C=C(Br)\C=C\c1ccccc1.
What is the InChIKey of [(1E,3E)-3-bromonona-1,3-dienyl]benzene?
The InChIKey is DIQWRCRFZCJFOO-GLZRVVIGSA-N. The full InChI is InChI=1S/C15H19Br/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-13H,2-4,8H2,1H3/b13-12+,15-11+.
What are the key properties of [(1E,3E)-3-bromonona-1,3-dienyl]benzene?
[(1E,3E)-3-bromonona-1,3-dienyl]benzene has a molecular weight of 279.22 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-3-bromonona-1,3-dienyl]benzene is sourced from PubChem (CID 135039609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).