[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate

C65H72O11Si — CID 21020176

About [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate (PubChem CID 21020176) has the molecular formula C65H72O11Si and a molecular weight of 1057.37 g/mol. Its IUPAC name is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate.

Molecular Properties

• Compound Name: [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate
• PubChem CID: 21020176
• Molecular Formula: C65H72O11Si
• Molecular Weight: 1057.37 g/mol
• Exact Mass: 1056.48
• IUPAC Name: [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate
• SMILES: COc1ccc(COC2C(OC(=O)c3ccccc3)C(C)OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1
• InChI: InChI=1S/C65H72O11Si/c1-46-57(68-41-48-25-13-7-14-26-48)60(69-42-49-27-15-8-16-28-49)62(71-43-50-29-17-9-18-30-50)64(74-46)76-59-56(45-72-77(65(3,4)5,54-33-21-11-22-34-54)55-35-23-12-24-36-55)73-47(2)58(75-63(66)52-31-19-10-20-32-52)61(59)70-44-51-37-39-53(67-6)40-38-51/h7-40,46-47,56-62,64H,41-45H2,1-6H3
• InChIKey: LESMAWAXPPGSQG-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 109.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.37
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate?

The IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate (CID 21020176) is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate.

What is the SMILES notation for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate?

The canonical SMILES for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate is COc1ccc(COC2C(OC(=O)c3ccccc3)C(C)OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1.

What is the InChIKey of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate?

The InChIKey is LESMAWAXPPGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H72O11Si/c1-46-57(68-41-48-25-13-7-14-26-48)60(69-42-49-27-15-8-16-28-49)62(71-43-50-29-17-9-18-30-50)64(74-46)76-59-56(45-72-77(65(3,4)5,54-33-21-11-22-34-54)55-35-23-12-24-36-55)73-47(2)58(75-63(66)52-31-19-10-20-32-52)61(59)70-44-51-37-39-53(67-6)40-38-51/h7-40,46-47,56-62,64H,41-45H2,1-6H3.

What are the key properties of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate?

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate has a molecular weight of 1057.37 g/mol, XLogP of 11.06, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate is sourced from PubChem (CID 21020176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).