1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene

C14H17Br — CID 145067539

IUPAC1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene
SMILESCC/C=C(C)\C=C(/C)c1ccc(Br)cc1
InChIInChI=1S/C14H17Br/c1-4-5-11(2)10-12(3)13-6-8-14(15)9-7-13/h5-10H,4H2,1-3H3/b11-5-,12-10+
InChIKeyZYYWNGPAUFNPPC-KPMVHUKVSA-N
MW265.19 g/mol
LogP5.21
Rot. Bonds3

About 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene

1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene (PubChem CID 145067539) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene
PubChem CID145067539
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene
SMILESCC/C=C(C)\C=C(/C)c1ccc(Br)cc1
InChIInChI=1S/C14H17Br/c1-4-5-11(2)10-12(3)13-6-8-14(15)9-7-13/h5-10H,4H2,1-3H3/b11-5-,12-10+
InChIKeyZYYWNGPAUFNPPC-KPMVHUKVSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.19
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 23336317
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1-bromo-4-but-2-en-2-ylbenzene
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3-[4-(4-bromophenyl)phenyl]but-2-en-1-amine
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1-bromo-4-[(Z)-4-(4-methylphenoxy)but-2-en-2-yl]benzene
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ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
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CID 69403420
3,5-dimethylocta-3,5-diene
CID 54471932
1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene
CID 138652147
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CID 143740427

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene?
The IUPAC name of 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene (CID 145067539) is 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene is CC/C=C(C)\C=C(/C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene?
The InChIKey is ZYYWNGPAUFNPPC-KPMVHUKVSA-N. The full InChI is InChI=1S/C14H17Br/c1-4-5-11(2)10-12(3)13-6-8-14(15)9-7-13/h5-10H,4H2,1-3H3/b11-5-,12-10+.
What are the key properties of 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene?
1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene has a molecular weight of 265.19 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2E,4Z)-4-methylhepta-2,4-dien-2-yl]benzene is sourced from PubChem (CID 145067539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).