C138H280N8O46Si12 — CID 158930932
2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate;3-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;methane (PubChem CID 158930932) has the molecular formula C138H280N8O46Si12 and a molecular weight of 3124.80 g/mol. Its IUPAC name is 2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate;3-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;methane.
| Compound Name | 2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate;3-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;methane |
|---|---|
| PubChem CID | 158930932 |
| Molecular Formula | C138H280N8O46Si12 |
| Molecular Weight | 3124.80 g/mol |
| Exact Mass | 3121.70 |
| IUPAC Name | 2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl 2-methylprop-2-enoate;3-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate;2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl]silyl]oxy-dimethylsilyl]propoxycarbonylamino]ethyl prop-2-enoate;3-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]propyl prop-2-enoate;methane |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C.C=C(C)C(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)NCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOC(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)OCCOC(=O)C(=C)C.C=CC(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C=C.C=CC(=O)OCCNC(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)NCCOC(=O)C=C.C=CC(=O)OCCOC(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)OCCOC(=O)C=C |
| InChI | InChI=1S/2C24H44N2O9Si2.2C22H40N2O9Si2.C18H34O5Si2.C16H30O5Si2.12CH4/c1-19(2)21(27)31-15-11-25-23(29)33-13-9-17-36(5,6)35-37(7,8)18-10-14-34-24(30)26-12-16-32-22(28)20(3)4;1-19(2)21(27)31-13-15-33-23(29)25-11-9-17-36(5,6)35-37(7,8)18-10-12-26-24(30)34-16-14-32-22(28)20(3)4;1-7-19(25)29-15-11-23-21(27)31-13-9-17-34(3,4)33-35(5,6)18-10-14-32-22(28)24-12-16-30-20(26)8-2;1-7-19(25)29-13-15-31-21(27)23-11-9-17-34(3,4)33-35(5,6)18-10-12-24-22(28)32-16-14-30-20(26)8-2;1-15(2)17(19)21-11-9-13-24(5,6)23-25(7,8)14-10-12-22-18(20)16(3)4;1-7-15(17)19-11-9-13-22(3,4)21-23(5,6)14-10-12-20-16(18)8-2;;;;;;;;;;;;/h2*1,3,9-18H2,2,4-8H3,(H,25,29)(H,26,30);2*7-8H,1-2,9-18H2,3-6H3,(H,23,27)(H,24,28);1,3,9-14H2,2,4-8H3;7-8H,1-2,9-14H2,3-6H3;12*1H4 |
| InChIKey | JJASRPBZWRYPRU-UHFFFAOYSA-N |
| XLogP | 29.69 |
| TPSA | 677.62 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 96 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3124.80 |
| LogP ≤ 5 | 29.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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