[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid

C11H12F3HgO4 — CID 10253903

IUPAC[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid
SMILESCOC1(C)C=C(C)C(=O)/C1=C\[Hg].O=C(O)C(F)(F)F
InChIInChI=1S/C9H11O2.C2HF3O2.Hg/c1-6-5-9(3,11-4)7(2)8(6)10;3-2(4,5)1(6)7;/h2,5H,1,3-4H3;(H,6,7);
InChIKeyNZVQYSADNQEOJQ-UHFFFAOYSA-N
MW465.80 g/mol
LogP1.98
Rot. Bonds1

About [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid

[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid (PubChem CID 10253903) has the molecular formula C11H12F3HgO4 and a molecular weight of 465.80 g/mol. Its IUPAC name is [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid
PubChem CID10253903
Molecular FormulaC11H12F3HgO4
Molecular Weight465.80 g/mol
Exact Mass467.04
IUPAC Name[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid
SMILESCOC1(C)C=C(C)C(=O)/C1=C\[Hg].O=C(O)C(F)(F)F
InChIInChI=1S/C9H11O2.C2HF3O2.Hg/c1-6-5-9(3,11-4)7(2)8(6)10;3-2(4,5)1(6)7;/h2,5H,1,3-4H3;(H,6,7);
InChIKeyNZVQYSADNQEOJQ-UHFFFAOYSA-N
XLogP1.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(Z)-(3-butyl-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid
CID 10029225
[(1Z)-1-(3-butyl-2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)ethyl]mercury;2,2,2-trifluoroacetic acid
CID 10414347
[(Z)-(2-methoxy-2,4-dimethyl-5-oxo-3-propylcyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid
CID 10481331
[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]-(2,2,2-trifluoroacetyl)oxymercury
CID 16686381

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid?
The IUPAC name of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid (CID 10253903) is [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid is COC1(C)C=C(C)C(=O)/C1=C\[Hg].O=C(O)C(F)(F)F.
What is the InChIKey of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid?
The InChIKey is NZVQYSADNQEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.C2HF3O2.Hg/c1-6-5-9(3,11-4)7(2)8(6)10;3-2(4,5)1(6)7;/h2,5H,1,3-4H3;(H,6,7);.
What are the key properties of [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid?
[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid has a molecular weight of 465.80 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10253903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).