C157H224O40Si26 — CID 158908520
2-(butoxymethyl)oxirane;dimethyl-[[11,14,17-tris(dimethylsilyloxy)-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane;3-ethenyl-7-oxabicyclo[4.1.0]heptane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane;trimethoxy(propyl)silane;trimethyl-[[1,3,5,7,9,11,14,17-octakis-phenyl-11,14,17-tris(trimethylsilyloxy)-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane (PubChem CID 158908520) has the molecular formula C157H224O40Si26 and a molecular weight of 3481.71 g/mol. Its IUPAC name is 2-(butoxymethyl)oxirane;dimethyl-[[11,14,17-tris(dimethylsilyloxy)-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane;3-ethenyl-7-oxabicyclo[4.1.0]heptane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane;trimethoxy(propyl)silane;trimethyl-[[1,3,5,7,9,11,14,17-octakis-phenyl-11,14,17-tris(trimethylsilyloxy)-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane.
| Compound Name | 2-(butoxymethyl)oxirane;dimethyl-[[11,14,17-tris(dimethylsilyloxy)-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane;3-ethenyl-7-oxabicyclo[4.1.0]heptane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane;trimethoxy(propyl)silane;trimethyl-[[1,3,5,7,9,11,14,17-octakis-phenyl-11,14,17-tris(trimethylsilyloxy)-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane |
|---|---|
| PubChem CID | 158908520 |
| Molecular Formula | C157H224O40Si26 |
| Molecular Weight | 3481.71 g/mol |
| Exact Mass | 3476.95 |
| IUPAC Name | 2-(butoxymethyl)oxirane;dimethyl-[[11,14,17-tris(dimethylsilyloxy)-1,3,5,7,9,11,14,17-octakis-phenyl-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane;3-ethenyl-7-oxabicyclo[4.1.0]heptane;ethenyl(trimethoxy)silane;2-(prop-2-enoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane;trimethoxy(propyl)silane;trimethyl-[[1,3,5,7,9,11,14,17-octakis-phenyl-11,14,17-tris(trimethylsilyloxy)-2,4,6,8,10,12,13,15,16,18-decaoxa-1,3,5,7,9,11,14,17-octasilatricyclo[7.3.3.33,7]octadecan-5-yl]oxy]silane |
| SMILES | C=CC1CCC2OC2C1.C=CCOCC1CO1.C=C[Si](OC)(OC)OC.CCCC1CCC2OC2C1.CCCCOCC1CO1.CCC[Si](OC)(OC)OC.C[SiH](C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[SiH](C)C)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[SiH](C)C)(c3ccccc3)O1)O2.C[Si](C)(C)O[Si]1(c2ccccc2)O[Si]2(c3ccccc3)O[Si](O[Si](C)(C)C)(c3ccccc3)O[Si](c3ccccc3)(O1)O[Si]1(c3ccccc3)O[Si](O[Si](C)(C)C)(c3ccccc3)O[Si](c3ccccc3)(O[Si](O[Si](C)(C)C)(c3ccccc3)O1)O2 |
| InChI | InChI=1S/C60H76O14Si12.C56H68O14Si12.C9H16O.C8H12O.C7H14O2.C6H16O3Si.C6H10O2.C5H12O3Si/c1-75(2,3)61-79(53-37-21-13-22-38-53)65-83(57-45-29-17-30-46-57)67-80(62-76(4,5)6,54-39-23-14-24-40-54)68-84(66-79,58-47-31-18-32-48-58)74-86(60-51-35-20-36-52-60)70-81(63-77(7,8)9,55-41-25-15-26-42-55)69-85(73-83,59-49-33-19-34-50-59)71-82(72-86,64-78(10,11)12)56-43-27-16-28-44-56;1-71(2)57-75(49-33-17-9-18-34-49)61-79(53-41-25-13-26-42-53)63-76(58-72(3)4,50-35-19-10-20-36-50)64-80(62-75,54-43-27-14-28-44-54)70-82(56-47-31-16-32-48-56)66-77(59-73(5)6,51-37-21-11-22-38-51)65-81(69-79,55-45-29-15-30-46-55)67-78(68-82,60-74(7)8)52-39-23-12-24-40-52;1-2-3-7-4-5-8-9(6-7)10-8;1-2-6-3-4-7-8(5-6)9-7;1-2-3-4-8-5-7-6-9-7;1-5-6-10(7-2,8-3)9-4;1-2-3-7-4-6-5-8-6;1-5-9(6-2,7-3)8-4/h13-52H,1-12H3;9-48,71-74H,1-8H3;7-9H,2-6H2,1H3;2,6-8H,1,3-5H2;7H,2-6H2,1H3;5-6H2,1-4H3;2,6H,1,3-5H2;5H,1H2,2-4H3 |
| InChIKey | JGIUYTWYXBSBOG-UHFFFAOYSA-N |
| XLogP | 21.08 |
| TPSA | 382.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 223 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3481.71 |
| LogP ≤ 5 | 21.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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