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

C8H9Br — CID 142476555

IUPAC1-bromo-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=C(Br)CCC=C1
InChIInChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h2-3,5H,1,4,6H2
InChIKeyCCVTVZBWZPYOOB-UHFFFAOYSA-N
MW185.06 g/mol
LogP3.17
Rot. Bonds1

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

1-bromo-2-ethenylcyclohexa-1,3-diene (PubChem CID 142476555) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is 1-bromo-2-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-bromo-2-ethenylcyclohexa-1,3-diene
PubChem CID142476555
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name1-bromo-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=C(Br)CCC=C1
InChIInChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h2-3,5H,1,4,6H2
InChIKeyCCVTVZBWZPYOOB-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-1-[2-(iodomethyl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-diene
CID 89170752
(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol
CID 145053382
(4Z)-3-methylidene-4-prop-2-enylidenecyclohexene
CID 142354681
(1Z,3Z)-1,2-dibromocycloocta-1,3-diene
CID 140580413
N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine
CID 146512197
N-ethenyl-2-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 174117673
(1E,3Z)-2-bromocycloocta-1,3-diene
CID 14316947
1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
CID 145498345
2-[2-(1-bromoprop-2-enyl)cyclohexa-1,3-dien-1-yl]-1,4-dioxine
CID 57454127
2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 145125936
1-bromo-2-cyclopenta-2,4-dien-1-ylcycloocta-1,5-diene
CID 161149242
3,4,5,6,9,10-hexahydrophenanthrene
CID 123501640

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethenylcyclohexa-1,3-diene?
The IUPAC name of 1-bromo-2-ethenylcyclohexa-1,3-diene (CID 142476555) is 1-bromo-2-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 1-bromo-2-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 1-bromo-2-ethenylcyclohexa-1,3-diene is C=CC1=C(Br)CCC=C1.
What is the InChIKey of 1-bromo-2-ethenylcyclohexa-1,3-diene?
The InChIKey is CCVTVZBWZPYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h2-3,5H,1,4,6H2.
What are the key properties of 1-bromo-2-ethenylcyclohexa-1,3-diene?
1-bromo-2-ethenylcyclohexa-1,3-diene has a molecular weight of 185.06 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 142476555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).