diiodolead;methyl prop-2-enoate

C4H6I2O2Pb — CID 175762695

IUPACdiiodolead;methyl prop-2-enoate
SMILESC=CC(=O)OC.I[Pb]I
InChIInChI=1S/C4H6O2.2HI.Pb/c1-3-4(5)6-2;;;/h3H,1H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyRRJDALUCIOFWHW-UHFFFAOYSA-L
MW547.10 g/mol
LogP1.74
Rot. Bonds1

About diiodolead;methyl prop-2-enoate

diiodolead;methyl prop-2-enoate (PubChem CID 175762695) has the molecular formula C4H6I2O2Pb and a molecular weight of 547.10 g/mol. Its IUPAC name is diiodolead;methyl prop-2-enoate.

Molecular Properties

Compound Namediiodolead;methyl prop-2-enoate
PubChem CID175762695
Molecular FormulaC4H6I2O2Pb
Molecular Weight547.10 g/mol
Exact Mass547.82
IUPAC Namediiodolead;methyl prop-2-enoate
SMILESC=CC(=O)OC.I[Pb]I
InChIInChI=1S/C4H6O2.2HI.Pb/c1-3-4(5)6-2;;;/h3H,1H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyRRJDALUCIOFWHW-UHFFFAOYSA-L
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.10
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diiodolead;methyl prop-2-enoate 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

formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
methyl prop-2-enoate;sulfuric acid
CID 174506127
benzene;ethene;methyl prop-2-enoate
CID 174897686
methyl prop-2-enoate;phosphoric acid
CID 174689976
ethenoxyethene;methyl prop-2-enoate
CID 159119515
chloroform;methyl prop-2-enoate
CID 123529405
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
dimethoxymethane;methyl prop-2-enoate
CID 162245850

Frequently Asked Questions

What is the IUPAC name of diiodolead;methyl prop-2-enoate?
The IUPAC name of diiodolead;methyl prop-2-enoate (CID 175762695) is diiodolead;methyl prop-2-enoate.
What is the SMILES notation for diiodolead;methyl prop-2-enoate?
The canonical SMILES for diiodolead;methyl prop-2-enoate is C=CC(=O)OC.I[Pb]I.
What is the InChIKey of diiodolead;methyl prop-2-enoate?
The InChIKey is RRJDALUCIOFWHW-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O2.2HI.Pb/c1-3-4(5)6-2;;;/h3H,1H2,2H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodolead;methyl prop-2-enoate?
diiodolead;methyl prop-2-enoate has a molecular weight of 547.10 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodolead;methyl prop-2-enoate is sourced from PubChem (CID 175762695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).