(1E,3Z)-2-bromocycloocta-1,3-diene

C8H11Br — CID 14316947

IUPAC(1E,3Z)-2-bromocycloocta-1,3-diene
SMILESBrC1=C/CCCC/C=C\1
InChIInChI=1S/C8H11Br/c9-8-6-4-2-1-3-5-7-8/h4,6-7H,1-3,5H2/b6-4-,8-7+
InChIKeyWLJSDNHSQLWEAT-IQTBQJLQSA-N
MW187.08 g/mol
LogP3.40
Rot. Bonds

About (1E,3Z)-2-bromocycloocta-1,3-diene

(1E,3Z)-2-bromocycloocta-1,3-diene (PubChem CID 14316947) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is (1E,3Z)-2-bromocycloocta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-2-bromocycloocta-1,3-diene
PubChem CID14316947
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name(1E,3Z)-2-bromocycloocta-1,3-diene
SMILESBrC1=C/CCCC/C=C\1
InChIInChI=1S/C8H11Br/c9-8-6-4-2-1-3-5-7-8/h4,6-7H,1-3,5H2/b6-4-,8-7+
InChIKeyWLJSDNHSQLWEAT-IQTBQJLQSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5E)-4-bromo-2-ethylcyclonona-1,3,5-triene
CID 174091096
(1Z,3Z)-1,2-dibromocycloocta-1,3-diene
CID 140580413
3-bromo-1-methylcyclohepta-1,3-diene
CID 163730925
(1E,3E,7Z)-3-bromocycloocta-1,3,7-triene-1-carbaldehyde
CID 143700536
(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
CID 173204255
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 151916060
1-bromocyclohexene
CID 519775
(1E,7E)-cyclododeca-1,7-diene
CID 6477773
2-methylcycloundeca-1,3,7-triene
CID 123392586
(1E)-1-bromocyclododecene
CID 12594202
(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-bromocycloocta-1,3-diene?
The IUPAC name of (1E,3Z)-2-bromocycloocta-1,3-diene (CID 14316947) is (1E,3Z)-2-bromocycloocta-1,3-diene.
What is the SMILES notation for (1E,3Z)-2-bromocycloocta-1,3-diene?
The canonical SMILES for (1E,3Z)-2-bromocycloocta-1,3-diene is BrC1=C/CCCC/C=C\1.
What is the InChIKey of (1E,3Z)-2-bromocycloocta-1,3-diene?
The InChIKey is WLJSDNHSQLWEAT-IQTBQJLQSA-N. The full InChI is InChI=1S/C8H11Br/c9-8-6-4-2-1-3-5-7-8/h4,6-7H,1-3,5H2/b6-4-,8-7+.
What are the key properties of (1E,3Z)-2-bromocycloocta-1,3-diene?
(1E,3Z)-2-bromocycloocta-1,3-diene has a molecular weight of 187.08 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-bromocycloocta-1,3-diene is sourced from PubChem (CID 14316947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).