5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene

C14H12Br2 — CID 87781266

IUPAC5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
SMILESBrC1(Br)C=CC=CC1/C=C/c1ccccc1
InChIInChI=1S/C14H12Br2/c15-14(16)11-5-4-8-13(14)10-9-12-6-2-1-3-7-12/h1-11,13H/b10-9+
InChIKeyQHQDHDBNVBQUAI-MDZDMXLPSA-N
MW340.06 g/mol
LogP4.93
Rot. Bonds2

About 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene

5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene (PubChem CID 87781266) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
PubChem CID87781266
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
SMILESBrC1(Br)C=CC=CC1/C=C/c1ccccc1
InChIInChI=1S/C14H12Br2/c15-14(16)11-5-4-8-13(14)10-9-12-6-2-1-3-7-12/h1-11,13H/b10-9+
InChIKeyQHQDHDBNVBQUAI-MDZDMXLPSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]-4-[4-[2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)ethenyl]phenyl]benzene
CID 141161555
diazanium;5,5-diamino-2-(2-phenylethenyl)cyclohex-3-ene-1,1-disulfonate
CID 153326071
5,5-diamino-2-(2-phenylethenyl)cyclohex-3-ene-1,1-disulfonic acid
CID 71430802
5,6-difluoro-5-[(E)-2-phenylethenyl]cyclohexa-1,3-diene
CID 87057597
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
CID 70569152
CID 70569152
CID 70567885
CID 70567885
[(E)-2-cyclohexa-2,3,5-trien-1-ylethenyl]benzene
CID 123362882
1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene
CID 141439544
(E)-3-(6-chloro-6-phenylcyclohexa-2,4-dien-1-yl)prop-2-enoic acid
CID 67802627
1-(2-phenylethenyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 154106781

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
The IUPAC name of 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene (CID 87781266) is 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene is BrC1(Br)C=CC=CC1/C=C/c1ccccc1.
What is the InChIKey of 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
The InChIKey is QHQDHDBNVBQUAI-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H12Br2/c15-14(16)11-5-4-8-13(14)10-9-12-6-2-1-3-7-12/h1-11,13H/b10-9+.
What are the key properties of 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene?
5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene has a molecular weight of 340.06 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromo-6-[(E)-2-phenylethenyl]cyclohexa-1,3-diene is sourced from PubChem (CID 87781266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).