C48H113NO14Si10 — CID 160758382
7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide (PubChem CID 160758382) has the molecular formula C48H113NO14Si10 and a molecular weight of 1209.28 g/mol. Its IUPAC name is 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide.
| Compound Name | 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide |
|---|---|
| PubChem CID | 160758382 |
| Molecular Formula | C48H113NO14Si10 |
| Molecular Weight | 1209.28 g/mol |
| Exact Mass | 1207.59 |
| IUPAC Name | 7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide |
| SMILES | C=CC(=O)CCC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.C=CC(=O)N(C)CC(O)COCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC |
| InChI | InChI=1S/C24H57NO7Si5.C24H56O7Si5/c1-14-16-19-33(4,5)29-35(8,9)31-37(12,13)32-36(10,11)30-34(6,7)20-17-18-28-22-23(26)21-25(3)24(27)15-2;1-13-15-20-32(3,4)28-34(7,8)30-36(11,12)31-35(9,10)29-33(5,6)21-16-19-27-22-24(26)18-17-23(25)14-2/h15,23,26H,2,14,16-22H2,1,3-13H3;14,24,26H,2,13,15-22H2,1,3-12H3 |
| InChIKey | RXSQDSMNFYGBPZ-UHFFFAOYSA-N |
| XLogP | 12.45 |
| TPSA | 170.14 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 73 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1209.28 |
| LogP ≤ 5 | 12.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'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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