(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene

C8H9Br — CID 5462922

IUPAC(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene
SMILESBrC1/C=C\C=C/C=C\C1
InChIInChI=1S/C8H9Br/c9-8-6-4-2-1-3-5-7-8/h1-6,8H,7H2/b2-1-,5-3-,6-4-
InChIKeyCJZXWYXQEJTDRN-XCADPSHZSA-N
MW185.06 g/mol
LogP2.82
Rot. Bonds

About (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene

(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene (PubChem CID 5462922) has the molecular formula C8H9Br and a molecular weight of 185.06 g/mol. Its IUPAC name is (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene
PubChem CID5462922
Molecular FormulaC8H9Br
Molecular Weight185.06 g/mol
Exact Mass183.99
IUPAC Name(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene
SMILESBrC1/C=C\C=C/C=C\C1
InChIInChI=1S/C8H9Br/c9-8-6-4-2-1-3-5-7-8/h1-6,8H,7H2/b2-1-,5-3-,6-4-
InChIKeyCJZXWYXQEJTDRN-XCADPSHZSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene (CID 5462922) is (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene is BrC1/C=C\C=C/C=C\C1.
What is the InChIKey of (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene?
The InChIKey is CJZXWYXQEJTDRN-XCADPSHZSA-N. The full InChI is InChI=1S/C8H9Br/c9-8-6-4-2-1-3-5-7-8/h1-6,8H,7H2/b2-1-,5-3-,6-4-.
What are the key properties of (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene?
(1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene has a molecular weight of 185.06 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-7-bromocycloocta-1,3,5-triene is sourced from PubChem (CID 5462922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).