[(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate

C23H27ClO6 — CID 11026463

IUPAC[(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate
SMILESCCO/C(=C\C=C\C(=[O+]/CC)c1ccc(C)cc1)c1ccc(C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H27O2.ClHO4/c1-5-24-22(20-14-10-18(3)11-15-20)8-7-9-23(25-6-2)21-16-12-19(4)13-17-21;2-1(3,4)5/h7-17H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b8-7+,23-9-;
InChIKeyWXROTRMHCNCAED-BBUQZYCUSA-M
MW434.92 g/mol
LogP0.92
Rot. Bonds7

About [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate

[(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate (PubChem CID 11026463) has the molecular formula C23H27ClO6 and a molecular weight of 434.92 g/mol. Its IUPAC name is [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate.

Molecular Properties

Compound Name[(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate
PubChem CID11026463
Molecular FormulaC23H27ClO6
Molecular Weight434.92 g/mol
Exact Mass434.15
IUPAC Name[(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate
SMILESCCO/C(=C\C=C\C(=[O+]/CC)c1ccc(C)cc1)c1ccc(C)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H27O2.ClHO4/c1-5-24-22(20-14-10-18(3)11-15-20)8-7-9-23(25-6-2)21-16-12-19(4)13-17-21;2-1(3,4)5/h7-17H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b8-7+,23-9-;
InChIKeyWXROTRMHCNCAED-BBUQZYCUSA-M
XLogP0.92
TPSA112.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate 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

Di-(2-ethylhexyl) terephthalate
CID 22932
Di-O-benzoyldiethylene glycol
CID 8437
2,2-Dimethoxy-2-phenylacetophenone
CID 90571
1,1'-Oxybis-2-propanol dibenzoate
CID 101560
Dibutyl terephthalate
CID 16066
Propylene glycol dibenzoate
CID 517637
Dimethyl 4,4'-biphenyldicarboxylate
CID 13099
Neopentyl glycol dibenzoate
CID 20169
Triethylene glycol dibenzoate
CID 67123
3-Phenylpropyl benzoate
CID 346273
Tetramethylene dibenzoate
CID 29511
(-)-Menthyl benzoate
CID 93868

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate?
The IUPAC name of [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate (CID 11026463) is [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate.
What is the SMILES notation for [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate?
The canonical SMILES for [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate is CCO/C(=C\C=C\C(=[O+]/CC)c1ccc(C)cc1)c1ccc(C)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate?
The InChIKey is WXROTRMHCNCAED-BBUQZYCUSA-M. The full InChI is InChI=1S/C23H27O2.ClHO4/c1-5-24-22(20-14-10-18(3)11-15-20)8-7-9-23(25-6-2)21-16-12-19(4)13-17-21;2-1(3,4)5/h7-17H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b8-7+,23-9-;.
What are the key properties of [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate?
[(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate has a molecular weight of 434.92 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-5-ethoxy-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-ethyloxidanium perchlorate is sourced from PubChem (CID 11026463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).