6-bromo-2-ethenylcyclohexa-1,3-diene

C8H9Br — CID 143292722

IUPAC6-bromo-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CC(Br)CC=C1
InChIInChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h2-4,6,8H,1,5H2
InChIKeyPYCBQJDJQGZZIE-UHFFFAOYSA-N
MW185.06 g/mol
LogP2.82
Rot. Bonds1

About 6-bromo-2-ethenylcyclohexa-1,3-diene

6-bromo-2-ethenylcyclohexa-1,3-diene (PubChem CID 143292722) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 6-bromo-2-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-bromo-2-ethenylcyclohexa-1,3-diene
PubChem CID143292722
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name6-bromo-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CC(Br)CC=C1
InChIInChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h2-4,6,8H,1,5H2
InChIKeyPYCBQJDJQGZZIE-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 52.82
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-(chloromethyl)-4-ethenylcyclohepta-1,3,5-triene
CID 145346186
4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine
CID 142879506
5-ethenyl-1-propan-2-yl-2H-pyridine
CID 174828449
(1S)-4-ethenyl-6-methylcyclohexa-2,4-diene-1-carbonitrile
CID 146499136
(1S,7R)-8,8-dimethylbicyclo[5.1.0]octa-2,4-diene-3-carbaldehyde
CID 162404722
bis[[(3S)-3-ethenylcyclohexa-1,5-dien-1-yl]oxy]-di(propan-2-yl)silane
CID 134852037
6-ethenylcyclohexa-1,3-diene-1,2-dithiol
CID 166522442
2-but-3-enyl-6-methylcyclohexa-1,3-diene
CID 143907191
2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
CID 144902393
5-bromocyclohexa-1,3-diene
CID 527557
1-fluoro-5-methyl-3-[(E)-2-(3-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
CID 170147091
3-methylidene-5-prop-2-enylcyclohexene
CID 15196946

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethenylcyclohexa-1,3-diene?
The IUPAC name of 6-bromo-2-ethenylcyclohexa-1,3-diene (CID 143292722) is 6-bromo-2-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 6-bromo-2-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 6-bromo-2-ethenylcyclohexa-1,3-diene is C=CC1=CC(Br)CC=C1.
What is the InChIKey of 6-bromo-2-ethenylcyclohexa-1,3-diene?
The InChIKey is PYCBQJDJQGZZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h2-4,6,8H,1,5H2.
What are the key properties of 6-bromo-2-ethenylcyclohexa-1,3-diene?
6-bromo-2-ethenylcyclohexa-1,3-diene has a molecular weight of 185.06 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 143292722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).