tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane

C75H96O12Si3 — CID 11170813

About tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane

tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane (PubChem CID 11170813) has the molecular formula C75H96O12Si3 and a molecular weight of 1273.84 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane
• PubChem CID: 11170813
• Molecular Formula: C75H96O12Si3
• Molecular Weight: 1273.84 g/mol
• Exact Mass: 1272.62
• IUPAC Name: tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane
• SMILES: CC(C)[Si]1(C(C)C)OC[C@@]2(O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[Si](C(C)C)(C(C)C)O1)[C@@H]2OCc1ccccc1
• InChI: InChI=1S/C75H96O12Si3/c1-55(2)89(56(3)4)82-54-75(72(80-51-63-41-27-16-28-42-63)69(86-90(87-89,57(5)6)58(7)8)67(84-75)53-81-88(74(9,10)11,64-43-29-17-30-44-64)65-45-31-18-32-46-65)85-73-71(79-50-62-39-25-15-26-40-62)70(78-49-61-37-23-14-24-38-61)68(77-48-60-35-21-13-22-36-60)66(83-73)52-76-47-59-33-19-12-20-34-59/h12-46,55-58,66-73H,47-54H2,1-11H3/t66-,67-,68-,69-,70+,71-,72+,73-,75+/m1/s1
• InChIKey: ODQUHRVPSVOSMG-WGMHJQCWSA-N
• XLogP: 14.91
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.84
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane?

The IUPAC name of tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane (CID 11170813) is tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane.

What is the SMILES notation for tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane?

The canonical SMILES for tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane is CC(C)[Si]1(C(C)C)OC[C@@]2(O[C@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O[Si](C(C)C)(C(C)C)O1)[C@@H]2OCc1ccccc1.

What is the InChIKey of tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane?

The InChIKey is ODQUHRVPSVOSMG-WGMHJQCWSA-N. The full InChI is InChI=1S/C75H96O12Si3/c1-55(2)89(56(3)4)82-54-75(72(80-51-63-41-27-16-28-42-63)69(86-90(87-89,57(5)6)58(7)8)67(84-75)53-81-88(74(9,10)11,64-43-29-17-30-44-64)65-45-31-18-32-46-65)85-73-71(79-50-62-39-25-15-26-40-62)70(78-49-61-37-23-14-24-38-61)68(77-48-60-35-21-13-22-36-60)66(83-73)52-76-47-59-33-19-12-20-34-59/h12-46,55-58,66-73H,47-54H2,1-11H3/t66-,67-,68-,69-,70+,71-,72+,73-,75+/m1/s1.

What are the key properties of tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane?

tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane has a molecular weight of 1273.84 g/mol, XLogP of 14.91, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-diphenyl-[[(1R,8S,10R,11S)-11-phenylmethoxy-3,3,5,5-tetra(propan-2-yl)-8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,4,6,9-tetraoxa-3,5-disilabicyclo[6.2.1]undecan-10-yl]methoxy]silane is sourced from PubChem (CID 11170813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).