diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate

C33H42O5Si — CID 22618822

IUPACdiethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate
SMILESCCOC(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(CCc1ccccc1)C(=O)OCC
InChIInChI=1S/C33H42O5Si/c1-6-36-30(34)33(31(35)37-7-2,24-23-27-17-11-8-12-18-27)25-26-38-39(32(3,4)5,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22H,6-7,23-26H2,1-5H3
InChIKeyXVBKATBYLLWGMB-UHFFFAOYSA-N
MW546.78 g/mol
LogP5.70
Rot. Bonds13

About diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate

diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate (PubChem CID 22618822) has the molecular formula C33H42O5Si and a molecular weight of 546.78 g/mol. Its IUPAC name is diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate
PubChem CID22618822
Molecular FormulaC33H42O5Si
Molecular Weight546.78 g/mol
Exact Mass546.28
IUPAC Namediethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate
SMILESCCOC(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(CCc1ccccc1)C(=O)OCC
InChIInChI=1S/C33H42O5Si/c1-6-36-30(34)33(31(35)37-7-2,24-23-27-17-11-8-12-18-27)25-26-38-39(32(3,4)5,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22H,6-7,23-26H2,1-5H3
InChIKeyXVBKATBYLLWGMB-UHFFFAOYSA-N
XLogP5.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.78
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate?
The IUPAC name of diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate (CID 22618822) is diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate.
What is the SMILES notation for diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate?
The canonical SMILES for diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate is CCOC(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(CCc1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate?
The InChIKey is XVBKATBYLLWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42O5Si/c1-6-36-30(34)33(31(35)37-7-2,24-23-27-17-11-8-12-18-27)25-26-38-39(32(3,4)5,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22H,6-7,23-26H2,1-5H3.
What are the key properties of diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate?
diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate has a molecular weight of 546.78 g/mol, XLogP of 5.70, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(2-phenylethyl)propanedioate is sourced from PubChem (CID 22618822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).