2-trimethylsilylethyl 2-diphenoxyphosphorylacetate

C19H25O5PSi — CID 11257863

IUPAC2-trimethylsilylethyl 2-diphenoxyphosphorylacetate
SMILESC[Si](C)(C)CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H25O5PSi/c1-26(2,3)15-14-22-19(20)16-25(21,23-17-10-6-4-7-11-17)24-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyRXPYKSFJCHRYLF-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.22
Rot. Bonds9

About 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate

2-trimethylsilylethyl 2-diphenoxyphosphorylacetate (PubChem CID 11257863) has the molecular formula C19H25O5PSi and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-diphenoxyphosphorylacetate
PubChem CID11257863
Molecular FormulaC19H25O5PSi
Molecular Weight392.46 g/mol
Exact Mass392.12
IUPAC Name2-trimethylsilylethyl 2-diphenoxyphosphorylacetate
SMILESC[Si](C)(C)CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H25O5PSi/c1-26(2,3)15-14-22-19(20)16-25(21,23-17-10-6-4-7-11-17)24-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeyRXPYKSFJCHRYLF-UHFFFAOYSA-N
XLogP5.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate?
The IUPAC name of 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate (CID 11257863) is 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate.
What is the SMILES notation for 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate?
The canonical SMILES for 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate is C[Si](C)(C)CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate?
The InChIKey is RXPYKSFJCHRYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O5PSi/c1-26(2,3)15-14-22-19(20)16-25(21,23-17-10-6-4-7-11-17)24-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate?
2-trimethylsilylethyl 2-diphenoxyphosphorylacetate has a molecular weight of 392.46 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-diphenoxyphosphorylacetate is sourced from PubChem (CID 11257863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).