C117H251N15O11Si3 — CID 158063467
4-(dimethylhydrazinylidene)-3-ethylhexan-3-ol;4-(dimethylhydrazinylidene)-3-methylhexan-3-ol;3-(dimethylhydrazinylidene)-2-methylpentan-2-ol;3-(dimethylhydrazinylidene)-2-trimethylsilylpentan-2-ol;4-ethylimino-3-methylhex-1-en-3-ol;3-ethyl-2-methyl-4-propan-2-yliminohexan-3-ol;3-ethyl-4-propan-2-yliminohexan-3-ol;3-methyl-4-propan-2-yliminohex-1-en-3-ol;2-methyl-3-propan-2-yl-4-propan-2-yliminohexan-3-ol;3-propan-2-ylimino-2-triethylsilylpentan-2-ol;3-propan-2-ylimino-2-trimethylsilylpentan-2-ol (PubChem CID 158063467) has the molecular formula C117H251N15O11Si3 and a molecular weight of 2128.65 g/mol. Its IUPAC name is 4-(dimethylhydrazinylidene)-3-ethylhexan-3-ol;4-(dimethylhydrazinylidene)-3-methylhexan-3-ol;3-(dimethylhydrazinylidene)-2-methylpentan-2-ol;3-(dimethylhydrazinylidene)-2-trimethylsilylpentan-2-ol;4-ethylimino-3-methylhex-1-en-3-ol;3-ethyl-2-methyl-4-propan-2-yliminohexan-3-ol;3-ethyl-4-propan-2-yliminohexan-3-ol;3-methyl-4-propan-2-yliminohex-1-en-3-ol;2-methyl-3-propan-2-yl-4-propan-2-yliminohexan-3-ol;3-propan-2-ylimino-2-triethylsilylpentan-2-ol;3-propan-2-ylimino-2-trimethylsilylpentan-2-ol.
| Compound Name | 4-(dimethylhydrazinylidene)-3-ethylhexan-3-ol;4-(dimethylhydrazinylidene)-3-methylhexan-3-ol;3-(dimethylhydrazinylidene)-2-methylpentan-2-ol;3-(dimethylhydrazinylidene)-2-trimethylsilylpentan-2-ol;4-ethylimino-3-methylhex-1-en-3-ol;3-ethyl-2-methyl-4-propan-2-yliminohexan-3-ol;3-ethyl-4-propan-2-yliminohexan-3-ol;3-methyl-4-propan-2-yliminohex-1-en-3-ol;2-methyl-3-propan-2-yl-4-propan-2-yliminohexan-3-ol;3-propan-2-ylimino-2-triethylsilylpentan-2-ol;3-propan-2-ylimino-2-trimethylsilylpentan-2-ol |
|---|---|
| PubChem CID | 158063467 |
| Molecular Formula | C117H251N15O11Si3 |
| Molecular Weight | 2128.65 g/mol |
| Exact Mass | 2126.89 |
| IUPAC Name | 4-(dimethylhydrazinylidene)-3-ethylhexan-3-ol;4-(dimethylhydrazinylidene)-3-methylhexan-3-ol;3-(dimethylhydrazinylidene)-2-methylpentan-2-ol;3-(dimethylhydrazinylidene)-2-trimethylsilylpentan-2-ol;4-ethylimino-3-methylhex-1-en-3-ol;3-ethyl-2-methyl-4-propan-2-yliminohexan-3-ol;3-ethyl-4-propan-2-yliminohexan-3-ol;3-methyl-4-propan-2-yliminohex-1-en-3-ol;2-methyl-3-propan-2-yl-4-propan-2-yliminohexan-3-ol;3-propan-2-ylimino-2-triethylsilylpentan-2-ol;3-propan-2-ylimino-2-trimethylsilylpentan-2-ol |
| SMILES | C=CC(C)(O)/C(CC)=N/C(C)C.C=CC(C)(O)/C(CC)=N/CC.CC/C(=N\C(C)C)C(C)(O)[Si](C)(C)C.CC/C(=N\C(C)C)C(C)(O)[Si](CC)(CC)CC.CC/C(=N\C(C)C)C(O)(C(C)C)C(C)C.CC/C(=N\C(C)C)C(O)(CC)C(C)C.CC/C(=N\C(C)C)C(O)(CC)CC.CCC(=NN(C)C)C(C)(C)O.CCC(=NN(C)C)C(C)(O)CC.CCC(=NN(C)C)C(C)(O)[Si](C)(C)C.CCC(=NN(C)C)C(O)(CC)CC |
| InChI | InChI=1S/C14H31NOSi.C13H27NO.C12H25NO.C11H25NOSi.C11H23NO.C10H24N2OSi.C10H22N2O.C10H19NO.C9H20N2O.C9H17NO.C8H18N2O/c1-8-13(15-12(5)6)14(7,16)17(9-2,10-3)11-4;1-8-12(14-11(6)7)13(15,9(2)3)10(4)5;1-7-11(13-10(5)6)12(14,8-2)9(3)4;1-8-10(12-9(2)3)11(4,13)14(5,6)7;1-6-10(12-9(4)5)11(13,7-2)8-3;1-8-9(11-12(3)4)10(2,13)14(5,6)7;1-6-9(11-12(4)5)10(13,7-2)8-3;1-6-9(11-8(3)4)10(5,12)7-2;1-6-8(10-11(4)5)9(3,12)7-2;1-5-8(10-7-3)9(4,11)6-2;1-6-7(8(2,3)11)9-10(4)5/h12,16H,8-11H2,1-7H3;9-11,15H,8H2,1-7H3;9-10,14H,7-8H2,1-6H3;9,13H,8H2,1-7H3;9,13H,6-8H2,1-5H3;13H,8H2,1-7H3;13H,6-8H2,1-5H3;7-8,12H,2,6H2,1,3-5H3;12H,6-7H2,1-5H3;6,11H,2,5,7H2,1,3-4H3;11H,6H2,1-5H3/b15-13+;14-12+;13-11+;2*12-10+;;;11-9+;;10-8+; |
| InChIKey | FKXZQQLYLFLTTA-WUBSSTMVSA-N |
| XLogP | 26.39 |
| TPSA | 371.45 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2128.65 |
| LogP ≤ 5 | 26.39 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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