(3Z)-2,3,4-trichlorohexa-1,3,5-triene

C6H5Cl3 — CID 88891012

IUPAC(3Z)-2,3,4-trichlorohexa-1,3,5-triene
SMILESC=C/C(Cl)=C(/Cl)C(=C)Cl
InChIInChI=1S/C6H5Cl3/c1-3-5(8)6(9)4(2)7/h3H,1-2H2/b6-5-
InChIKeySIUPJWRYSSWHOX-WAYWQWQTSA-N
MW183.46 g/mol
LogP3.61
Rot. Bonds2

About (3Z)-2,3,4-trichlorohexa-1,3,5-triene

(3Z)-2,3,4-trichlorohexa-1,3,5-triene (PubChem CID 88891012) has the molecular formula C6H5Cl3 and a molecular weight of 183.46 g/mol. Its IUPAC name is (3Z)-2,3,4-trichlorohexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2,3,4-trichlorohexa-1,3,5-triene
PubChem CID88891012
Molecular FormulaC6H5Cl3
Molecular Weight183.46 g/mol
Exact Mass181.95
IUPAC Name(3Z)-2,3,4-trichlorohexa-1,3,5-triene
SMILESC=C/C(Cl)=C(/Cl)C(=C)Cl
InChIInChI=1S/C6H5Cl3/c1-3-5(8)6(9)4(2)7/h3H,1-2H2/b6-5-
InChIKeySIUPJWRYSSWHOX-WAYWQWQTSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2,3,4-trichlorohexa-1,3,5-triene?
The IUPAC name of (3Z)-2,3,4-trichlorohexa-1,3,5-triene (CID 88891012) is (3Z)-2,3,4-trichlorohexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2,3,4-trichlorohexa-1,3,5-triene?
The canonical SMILES for (3Z)-2,3,4-trichlorohexa-1,3,5-triene is C=C/C(Cl)=C(/Cl)C(=C)Cl.
What is the InChIKey of (3Z)-2,3,4-trichlorohexa-1,3,5-triene?
The InChIKey is SIUPJWRYSSWHOX-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H5Cl3/c1-3-5(8)6(9)4(2)7/h3H,1-2H2/b6-5-.
What are the key properties of (3Z)-2,3,4-trichlorohexa-1,3,5-triene?
(3Z)-2,3,4-trichlorohexa-1,3,5-triene has a molecular weight of 183.46 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,3,4-trichlorohexa-1,3,5-triene is sourced from PubChem (CID 88891012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).