triphenylstannyl prop-2-ynoate

C21H16O2Sn — CID 16683419

IUPACtriphenylstannyl prop-2-ynoate
SMILESC#CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C3H2O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;1H,(H,4,5);/q;;;;+1/p-1
InChIKeyWYIXOCNBZIKWBD-UHFFFAOYSA-M
MW419.07 g/mol
LogP1.83
Rot. Bonds4

About triphenylstannyl prop-2-ynoate

triphenylstannyl prop-2-ynoate (PubChem CID 16683419) has the molecular formula C21H16O2Sn and a molecular weight of 419.07 g/mol. Its IUPAC name is triphenylstannyl prop-2-ynoate.

Molecular Properties

Compound Nametriphenylstannyl prop-2-ynoate
PubChem CID16683419
Molecular FormulaC21H16O2Sn
Molecular Weight419.07 g/mol
Exact Mass420.02
IUPAC Nametriphenylstannyl prop-2-ynoate
SMILESC#CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C3H2O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;1H,(H,4,5);/q;;;;+1/p-1
InChIKeyWYIXOCNBZIKWBD-UHFFFAOYSA-M
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.07
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl prop-2-ynoate?
The IUPAC name of triphenylstannyl prop-2-ynoate (CID 16683419) is triphenylstannyl prop-2-ynoate.
What is the SMILES notation for triphenylstannyl prop-2-ynoate?
The canonical SMILES for triphenylstannyl prop-2-ynoate is C#CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl prop-2-ynoate?
The InChIKey is WYIXOCNBZIKWBD-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C3H2O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;1H,(H,4,5);/q;;;;+1/p-1.
What are the key properties of triphenylstannyl prop-2-ynoate?
triphenylstannyl prop-2-ynoate has a molecular weight of 419.07 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl prop-2-ynoate is sourced from PubChem (CID 16683419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).