(2Z,4E)-1,3,6-trichlorohexa-2,4-diene

C6H7Cl3 — CID 102247627

IUPAC(2Z,4E)-1,3,6-trichlorohexa-2,4-diene
SMILESClC/C=C(Cl)/C=C/CCl
InChIInChI=1S/C6H7Cl3/c7-4-1-2-6(9)3-5-8/h1-3H,4-5H2/b2-1+,6-3-
InChIKeyPYDVYDNLXBPAKV-AOVUDYDWSA-N
MW185.48 g/mol
LogP3.14
Rot. Bonds3

About (2Z,4E)-1,3,6-trichlorohexa-2,4-diene

(2Z,4E)-1,3,6-trichlorohexa-2,4-diene (PubChem CID 102247627) has the molecular formula C6H7Cl3 and a molecular weight of 185.48 g/mol. Its IUPAC name is (2Z,4E)-1,3,6-trichlorohexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-1,3,6-trichlorohexa-2,4-diene
PubChem CID102247627
Molecular FormulaC6H7Cl3
Molecular Weight185.48 g/mol
Exact Mass183.96
IUPAC Name(2Z,4E)-1,3,6-trichlorohexa-2,4-diene
SMILESClC/C=C(Cl)/C=C/CCl
InChIInChI=1S/C6H7Cl3/c7-4-1-2-6(9)3-5-8/h1-3H,4-5H2/b2-1+,6-3-
InChIKeyPYDVYDNLXBPAKV-AOVUDYDWSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4E)-1,3,6-trichlorohexa-2,4-diene 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

2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene
CID 139662029
(E)-4-chlorobut-2-enoyl chloride
CID 10396911
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
CID 10702956
(4Z)-6-chloro-2-methylhexa-2,4-dien-3-ol
CID 126763646
(6-chloro-3-methylhexa-2,4-dienyl) acetate
CID 156769956
(Z)-2-bromo-1,4-dichlorobut-2-ene
CID 10910617
CID 90071398
CID 90071398
4-chloro-1,1,1-trifluoro-2-(trifluoromethyl)but-2-ene
CID 11241329
ethyl 4-chlorobut-2-enoate
CID 71354151
1,3,6,6-tetrachlorohexa-1,3-diene
CID 174654583
3-chloroprop-1-enyl-λ2-stannane
CID 174602805
(3E,5Z)-7-chloro-2-fluorohepta-1,3,5-trien-4-amine
CID 170368180

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1,3,6-trichlorohexa-2,4-diene?
The IUPAC name of (2Z,4E)-1,3,6-trichlorohexa-2,4-diene (CID 102247627) is (2Z,4E)-1,3,6-trichlorohexa-2,4-diene.
What is the SMILES notation for (2Z,4E)-1,3,6-trichlorohexa-2,4-diene?
The canonical SMILES for (2Z,4E)-1,3,6-trichlorohexa-2,4-diene is ClC/C=C(Cl)/C=C/CCl.
What is the InChIKey of (2Z,4E)-1,3,6-trichlorohexa-2,4-diene?
The InChIKey is PYDVYDNLXBPAKV-AOVUDYDWSA-N. The full InChI is InChI=1S/C6H7Cl3/c7-4-1-2-6(9)3-5-8/h1-3H,4-5H2/b2-1+,6-3-.
What are the key properties of (2Z,4E)-1,3,6-trichlorohexa-2,4-diene?
(2Z,4E)-1,3,6-trichlorohexa-2,4-diene has a molecular weight of 185.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1,3,6-trichlorohexa-2,4-diene is sourced from PubChem (CID 102247627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).