[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene

C16H20BrCl — CID 73294060

IUPAC[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene
SMILESC=CCCCCCC/C(Br)=C(/Cl)c1ccccc1
InChIInChI=1S/C16H20BrCl/c1-2-3-4-5-6-10-13-15(17)16(18)14-11-8-7-9-12-14/h2,7-9,11-12H,1,3-6,10,13H2/b16-15-
InChIKeyIKEXSGMQYLSZTI-NXVVXOECSA-N
MW327.69 g/mol
LogP6.52
Rot. Bonds8

About [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene

[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene (PubChem CID 73294060) has the molecular formula C16H20BrCl and a molecular weight of 327.69 g/mol. Its IUPAC name is [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene
PubChem CID73294060
Molecular FormulaC16H20BrCl
Molecular Weight327.69 g/mol
Exact Mass326.04
IUPAC Name[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene
SMILESC=CCCCCCC/C(Br)=C(/Cl)c1ccccc1
InChIInChI=1S/C16H20BrCl/c1-2-3-4-5-6-10-13-15(17)16(18)14-11-8-7-9-12-14/h2,7-9,11-12H,1,3-6,10,13H2/b16-15-
InChIKeyIKEXSGMQYLSZTI-NXVVXOECSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.69
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(2,2-dibromo-1-chloroethenyl)benzene
CID 154173711
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Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene?
The IUPAC name of [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene (CID 73294060) is [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene.
What is the SMILES notation for [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene?
The canonical SMILES for [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene is C=CCCCCCC/C(Br)=C(/Cl)c1ccccc1.
What is the InChIKey of [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene?
The InChIKey is IKEXSGMQYLSZTI-NXVVXOECSA-N. The full InChI is InChI=1S/C16H20BrCl/c1-2-3-4-5-6-10-13-15(17)16(18)14-11-8-7-9-12-14/h2,7-9,11-12H,1,3-6,10,13H2/b16-15-.
What are the key properties of [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene?
[(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene has a molecular weight of 327.69 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-bromo-1-chlorodeca-1,9-dienyl]benzene is sourced from PubChem (CID 73294060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).