C128H204O21Si13 — CID 160738980
2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenol;2-[3-[[3-[2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenol;2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol (PubChem CID 160738980) has the molecular formula C128H204O21Si13 and a molecular weight of 2444.14 g/mol. Its IUPAC name is 2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenol;2-[3-[[3-[2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenol;2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol.
| Compound Name | 2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenol;2-[3-[[3-[2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenol;2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol |
|---|---|
| PubChem CID | 160738980 |
| Molecular Formula | C128H204O21Si13 |
| Molecular Weight | 2444.14 g/mol |
| Exact Mass | 2441.19 |
| IUPAC Name | 2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]phenol;2-[3-[[3-[2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-methoxyphenol;2-[3-[[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol;2-[3-[[3-(2-hydroxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenol |
| SMILES | CC(C)(c1ccc(O)cc1)c1ccc(O)c(CCC[Si](C)(C)O[Si](C)(C)CCCc2cc(C(C)(C)c3ccc(O)cc3)ccc2O)c1.COc1cc(CCC[Si](C)(C)O[Si](C)(C)CCCc2ccc(O)c(OC)c2)ccc1O.C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCc1ccccc1O)O[Si](C)(C)C.C[Si](C)(CCCc1ccccc1O)O[Si](C)(C)CCCc1ccccc1O.C[Si](C)(CCCc1ccccc1O)O[Si](C)(C)O[Si](C)(C)CCCc1ccccc1O |
| InChI | InChI=1S/C40H54O5Si2.C24H38O5Si2.C24H40O4Si3.C22H34O3Si2.C18H38O4Si4/c1-39(2,31-13-19-35(41)20-14-31)33-17-23-37(43)29(27-33)11-9-25-46(5,6)45-47(7,8)26-10-12-30-28-34(18-24-38(30)44)40(3,4)32-15-21-36(42)22-16-32;1-27-23-17-19(11-13-21(23)25)9-7-15-30(3,4)29-31(5,6)16-8-10-20-12-14-22(26)24(18-20)28-2;1-29(2,19-11-15-21-13-7-9-17-23(21)25)27-31(5,6)28-30(3,4)20-12-16-22-14-8-10-18-24(22)26;1-26(2,17-9-13-19-11-5-7-15-21(19)23)25-27(3,4)18-10-14-20-12-6-8-16-22(20)24;1-23(2,3)20-25(7,8)22-26(9,21-24(4,5)6)16-12-14-17-13-10-11-15-18(17)19/h13-24,27-28,41-44H,9-12,25-26H2,1-8H3;11-14,17-18,25-26H,7-10,15-16H2,1-6H3;7-10,13-14,17-18,25-26H,11-12,15-16,19-20H2,1-6H3;5-8,11-12,15-16,23-24H,9-10,13-14,17-18H2,1-4H3;10-11,13,15,19H,12,14,16H2,1-9H3 |
| InChIKey | RVIATEOVLLJFQG-UHFFFAOYSA-N |
| XLogP | 34.98 |
| TPSA | 314.83 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2444.14 |
| LogP ≤ 5 | 34.98 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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