triphenylstannyl 2-methylprop-2-enoate

C22H20O2Sn — CID 16684478

IUPACtriphenylstannyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H6O2.Sn/c3*1-2-4-6-5-3-1;1-3(2)4(5)6;/h3*1-5H;1H2,2H3,(H,5,6);/q;;;;+1/p-1
InChIKeyJNRFAGAIHOKUES-UHFFFAOYSA-M
MW435.11 g/mol
LogP2.77
Rot. Bonds5

About triphenylstannyl 2-methylprop-2-enoate

triphenylstannyl 2-methylprop-2-enoate (PubChem CID 16684478) has the molecular formula C22H20O2Sn and a molecular weight of 435.11 g/mol. Its IUPAC name is triphenylstannyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametriphenylstannyl 2-methylprop-2-enoate
PubChem CID16684478
Molecular FormulaC22H20O2Sn
Molecular Weight435.11 g/mol
Exact Mass436.05
IUPAC Nametriphenylstannyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H6O2.Sn/c3*1-2-4-6-5-3-1;1-3(2)4(5)6;/h3*1-5H;1H2,2H3,(H,5,6);/q;;;;+1/p-1
InChIKeyJNRFAGAIHOKUES-UHFFFAOYSA-M
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.11
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 2-methylprop-2-enoate?
The IUPAC name of triphenylstannyl 2-methylprop-2-enoate (CID 16684478) is triphenylstannyl 2-methylprop-2-enoate.
What is the SMILES notation for triphenylstannyl 2-methylprop-2-enoate?
The canonical SMILES for triphenylstannyl 2-methylprop-2-enoate is C=C(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl 2-methylprop-2-enoate?
The InChIKey is JNRFAGAIHOKUES-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C4H6O2.Sn/c3*1-2-4-6-5-3-1;1-3(2)4(5)6;/h3*1-5H;1H2,2H3,(H,5,6);/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 2-methylprop-2-enoate?
triphenylstannyl 2-methylprop-2-enoate has a molecular weight of 435.11 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 2-methylprop-2-enoate is sourced from PubChem (CID 16684478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).