1-bromo-4-[(E)-6-bromohex-3-enyl]benzene

C12H14Br2 — CID 23455748

IUPAC1-bromo-4-[(E)-6-bromohex-3-enyl]benzene
SMILESBrCC/C=C/CCc1ccc(Br)cc1
InChIInChI=1S/C12H14Br2/c13-10-4-2-1-3-5-11-6-8-12(14)9-7-11/h1-2,6-9H,3-5,10H2/b2-1+
InChIKeyNISSUFYFNTXPGR-OWOJBTEDSA-N
MW318.05 g/mol
LogP4.72
Rot. Bonds5

About 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene

1-bromo-4-[(E)-6-bromohex-3-enyl]benzene (PubChem CID 23455748) has the molecular formula C12H14Br2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-6-bromohex-3-enyl]benzene
PubChem CID23455748
Molecular FormulaC12H14Br2
Molecular Weight318.05 g/mol
Exact Mass315.95
IUPAC Name1-bromo-4-[(E)-6-bromohex-3-enyl]benzene
SMILESBrCC/C=C/CCc1ccc(Br)cc1
InChIInChI=1S/C12H14Br2/c13-10-4-2-1-3-5-11-6-8-12(14)9-7-11/h1-2,6-9H,3-5,10H2/b2-1+
InChIKeyNISSUFYFNTXPGR-OWOJBTEDSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.05
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-6-bromohex-3-enyl]-4-[[4-[(Z)-6-bromohex-3-enyl]phenyl]methoxymethoxymethoxymethyl]benzene
CID 163288095
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-[(E)-4-bromobut-3-enyl]-4-chlorobenzene
CID 18958990
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
CID 170498464
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
1-bromo-4-(4-bromo-3-fluorobutyl)benzene
CID 118947109
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
1-hept-3-enyl-4-iodobenzene
CID 139749261
4-(4-bromophenyl)butan-2-one;ethane
CID 142922881

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene (CID 23455748) is 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene is BrCC/C=C/CCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene?
The InChIKey is NISSUFYFNTXPGR-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H14Br2/c13-10-4-2-1-3-5-11-6-8-12(14)9-7-11/h1-2,6-9H,3-5,10H2/b2-1+.
What are the key properties of 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene?
1-bromo-4-[(E)-6-bromohex-3-enyl]benzene has a molecular weight of 318.05 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-6-bromohex-3-enyl]benzene is sourced from PubChem (CID 23455748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).