2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene

C10H10Cl4O — CID 139662029

IUPAC2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene
SMILESClCC=CC(Cl)=COC=C(Cl)C=CCCl
InChIInChI=1S/C10H10Cl4O/c11-5-1-3-9(13)7-15-8-10(14)4-2-6-12/h1-4,7-8H,5-6H2
InChIKeyYVFVXQHFLROYFZ-UHFFFAOYSA-N
MW288.00 g/mol
LogP4.75
Rot. Bonds6

About 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene

2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene (PubChem CID 139662029) has the molecular formula C10H10Cl4O and a molecular weight of 288.00 g/mol. Its IUPAC name is 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene.

Molecular Properties

Compound Name2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene
PubChem CID139662029
Molecular FormulaC10H10Cl4O
Molecular Weight288.00 g/mol
Exact Mass285.95
IUPAC Name2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene
SMILESClCC=CC(Cl)=COC=C(Cl)C=CCCl
InChIInChI=1S/C10H10Cl4O/c11-5-1-3-9(13)7-15-8-10(14)4-2-6-12/h1-4,7-8H,5-6H2
InChIKeyYVFVXQHFLROYFZ-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.00
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene?
The IUPAC name of 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene (CID 139662029) is 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene.
What is the SMILES notation for 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene?
The canonical SMILES for 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene is ClCC=CC(Cl)=COC=C(Cl)C=CCCl.
What is the InChIKey of 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene?
The InChIKey is YVFVXQHFLROYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl4O/c11-5-1-3-9(13)7-15-8-10(14)4-2-6-12/h1-4,7-8H,5-6H2.
What are the key properties of 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene?
2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene has a molecular weight of 288.00 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-(2,5-dichloropenta-1,3-dienoxy)penta-1,3-diene is sourced from PubChem (CID 139662029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).