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

C57H64O10Si — CID 21020179

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

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate (PubChem CID 21020179) has the molecular formula C57H64O10Si and a molecular weight of 937.22 g/mol. Its IUPAC name is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-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-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate
• PubChem CID: 21020179
• Molecular Formula: C57H64O10Si
• Molecular Weight: 937.22 g/mol
• Exact Mass: 936.43
• IUPAC Name: [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate
• SMILES: CC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(O)C1OC(=O)c1ccccc1
• InChI: InChI=1S/C57H64O10Si/c1-40-50(66-55(59)45-30-18-9-19-31-45)49(58)52(48(64-40)39-63-68(57(3,4)5,46-32-20-10-21-33-46)47-34-22-11-23-35-47)67-56-54(62-38-44-28-16-8-17-29-44)53(61-37-43-26-14-7-15-27-43)51(41(2)65-56)60-36-42-24-12-6-13-25-42/h6-35,40-41,48-54,56,58H,36-39H2,1-5H3
• InChIKey: OXTBZUWGXMBKLW-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 111.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.22
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-hydroxy-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-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate (CID 21020179) is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-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-hydroxy-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-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate is CC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(O)C1OC(=O)c1ccccc1.

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

The InChIKey is OXTBZUWGXMBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H64O10Si/c1-40-50(66-55(59)45-30-18-9-19-31-45)49(58)52(48(64-40)39-63-68(57(3,4)5,46-32-20-10-21-33-46)47-34-22-11-23-35-47)67-56-54(62-38-44-28-16-8-17-29-44)53(61-37-43-26-14-7-15-27-43)51(41(2)65-56)60-36-42-24-12-6-13-25-42/h6-35,40-41,48-54,56,58H,36-39H2,1-5H3.

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

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate has a molecular weight of 937.22 g/mol, XLogP of 8.82, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methyl-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxan-3-yl] benzoate is sourced from PubChem (CID 21020179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).