2-trimethylsilylethyl 4-diphenylphosphanylbenzoate

C24H27O2PSi — CID 11258282

IUPAC2-trimethylsilylethyl 4-diphenylphosphanylbenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27O2PSi/c1-28(2,3)19-18-26-24(25)20-14-16-23(17-15-20)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,18-19H2,1-3H3
InChIKeyQTYUNPJLGFKKRV-UHFFFAOYSA-N
MW406.54 g/mol
LogP4.94
Rot. Bonds7

About 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate

2-trimethylsilylethyl 4-diphenylphosphanylbenzoate (PubChem CID 11258282) has the molecular formula C24H27O2PSi and a molecular weight of 406.54 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-diphenylphosphanylbenzoate
PubChem CID11258282
Molecular FormulaC24H27O2PSi
Molecular Weight406.54 g/mol
Exact Mass406.15
IUPAC Name2-trimethylsilylethyl 4-diphenylphosphanylbenzoate
SMILESC[Si](C)(C)CCOC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27O2PSi/c1-28(2,3)19-18-26-24(25)20-14-16-23(17-15-20)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,18-19H2,1-3H3
InChIKeyQTYUNPJLGFKKRV-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate?
The IUPAC name of 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate (CID 11258282) is 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate?
The canonical SMILES for 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate is C[Si](C)(C)CCOC(=O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate?
The InChIKey is QTYUNPJLGFKKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O2PSi/c1-28(2,3)19-18-26-24(25)20-14-16-23(17-15-20)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,18-19H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate?
2-trimethylsilylethyl 4-diphenylphosphanylbenzoate has a molecular weight of 406.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-diphenylphosphanylbenzoate is sourced from PubChem (CID 11258282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).