(2Z,4E,6E)-4-bromoocta-2,4,6-triene

C8H11Br — CID 89381350

IUPAC(2Z,4E,6E)-4-bromoocta-2,4,6-triene
SMILESC/C=C\C(Br)=C/C=C/C
InChIInChI=1S/C8H11Br/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+
InChIKeyQXHQODDNQZSFQZ-GOZJPCKMSA-N
MW187.08 g/mol
LogP3.42
Rot. Bonds2

About (2Z,4E,6E)-4-bromoocta-2,4,6-triene

(2Z,4E,6E)-4-bromoocta-2,4,6-triene (PubChem CID 89381350) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is (2Z,4E,6E)-4-bromoocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-4-bromoocta-2,4,6-triene
PubChem CID89381350
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name(2Z,4E,6E)-4-bromoocta-2,4,6-triene
SMILESC/C=C\C(Br)=C/C=C/C
InChIInChI=1S/C8H11Br/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+
InChIKeyQXHQODDNQZSFQZ-GOZJPCKMSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E)-4-bromoocta-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methylocta-2,4,6-triene
CID 90964929
(4E,6Z)-5-bromo-2-methylocta-2,4,6-triene
CID 142113249
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(2Z,6E,8E,10E)-4,8-bis[(Z)-prop-1-enyl]dodeca-2,4,6,8,10-pentaene
CID 145128728
(2Z,4E)-2-bromohexa-2,4-dienenitrile
CID 24851488
(3E,5Z)-2,4-dibromohepta-1,3,5-triene
CID 156818612
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
CID 126714588
2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
CID 91077238
(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
CID 89217494
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-4-bromoocta-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-4-bromoocta-2,4,6-triene (CID 89381350) is (2Z,4E,6E)-4-bromoocta-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-4-bromoocta-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-4-bromoocta-2,4,6-triene is C/C=C\C(Br)=C/C=C/C.
What is the InChIKey of (2Z,4E,6E)-4-bromoocta-2,4,6-triene?
The InChIKey is QXHQODDNQZSFQZ-GOZJPCKMSA-N. The full InChI is InChI=1S/C8H11Br/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+.
What are the key properties of (2Z,4E,6E)-4-bromoocta-2,4,6-triene?
(2Z,4E,6E)-4-bromoocta-2,4,6-triene has a molecular weight of 187.08 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-4-bromoocta-2,4,6-triene is sourced from PubChem (CID 89381350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).