dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane

C56H88O24Si12 — CID 102278040

About dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane

dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane (PubChem CID 102278040) has the molecular formula C56H88O24Si12 and a molecular weight of 1482.33 g/mol. Its IUPAC name is dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane.

Molecular Properties

• Compound Name: dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane
• PubChem CID: 102278040
• Molecular Formula: C56H88O24Si12
• Molecular Weight: 1482.33 g/mol
• Exact Mass: 1480.29
• IUPAC Name: dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane
• SMILES: C[Si](C)(CCCOCC1CO1)O[Si]12O[Si]3(O[Si](C)(C)CCCOCC4CO4)O[Si]4(O[Si](C)(C)CCCOCC5CO5)O[Si](c5ccccc5)(O1)O[Si]1(c5ccccc5)O[Si](O[Si](C)(C)CCCOCC5CO5)(O2)O[Si](c2ccccc2)(O3)O[Si](c2ccccc2)(O4)O1
• InChI: InChI=1S/C56H88O24Si12/c1-81(2,37-21-33-57-41-49-45-61-49)65-89-72-85(53-25-13-9-14-26-53)69-86(54-27-15-10-16-28-54)71-87(74-89,55-29-17-11-18-30-55)76-92(68-84(7,8)40-24-36-60-44-52-48-64-52)79-90(73-86,66-82(3,4)38-22-34-58-42-50-46-62-50)75-88(70-85,56-31-19-12-20-32-56)77-91(78-89,80-92)67-83(5,6)39-23-35-59-43-51-47-63-51/h9-20,25-32,49-52H,21-24,33-48H2,1-8H3
• InChIKey: RGXSDFWRWYDDCJ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 234.72 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.33
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane?

The IUPAC name of dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane (CID 102278040) is dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane.

What is the SMILES notation for dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane?

The canonical SMILES for dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane is C[Si](C)(CCCOCC1CO1)O[Si]12O[Si]3(O[Si](C)(C)CCCOCC4CO4)O[Si]4(O[Si](C)(C)CCCOCC5CO5)O[Si](c5ccccc5)(O1)O[Si]1(c5ccccc5)O[Si](O[Si](C)(C)CCCOCC5CO5)(O2)O[Si](c2ccccc2)(O3)O[Si](c2ccccc2)(O4)O1.

What is the InChIKey of dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane?

The InChIKey is RGXSDFWRWYDDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H88O24Si12/c1-81(2,37-21-33-57-41-49-45-61-49)65-89-72-85(53-25-13-9-14-26-53)69-86(54-27-15-10-16-28-54)71-87(74-89,55-29-17-11-18-30-55)76-92(68-84(7,8)40-24-36-60-44-52-48-64-52)79-90(73-86,66-82(3,4)38-22-34-58-42-50-46-62-50)75-88(70-85,56-31-19-12-20-32-56)77-91(78-89,80-92)67-83(5,6)39-23-35-59-43-51-47-63-51/h9-20,25-32,49-52H,21-24,33-48H2,1-8H3.

What are the key properties of dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane?

dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane has a molecular weight of 1482.33 g/mol, XLogP of 5.49, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3-(oxiran-2-ylmethoxy)propyl]-[[3,5,7-tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-9,11,13,15-tetraphenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silane is sourced from PubChem (CID 102278040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).