C125H241N7O25 — CID 159594542
bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;molecular hydrogen;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-[2,2,6,6-tetramethyl-1-(trioxidanylperoxyperoxycarbonyl)piperidin-4-yl] decanedioate (PubChem CID 159594542) has the molecular formula C125H241N7O25 and a molecular weight of 2242.33 g/mol. Its IUPAC name is bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;molecular hydrogen;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-[2,2,6,6-tetramethyl-1-(trioxidanylperoxyperoxycarbonyl)piperidin-4-yl] decanedioate.
| Compound Name | bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;molecular hydrogen;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-[2,2,6,6-tetramethyl-1-(trioxidanylperoxyperoxycarbonyl)piperidin-4-yl] decanedioate |
|---|---|
| PubChem CID | 159594542 |
| Molecular Formula | C125H241N7O25 |
| Molecular Weight | 2242.33 g/mol |
| Exact Mass | 2240.78 |
| IUPAC Name | bis(1,2,2,4,6,6-hexamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;molecular hydrogen;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-[2,2,6,6-tetramethyl-1-(trioxidanylperoxyperoxycarbonyl)piperidin-4-yl] decanedioate |
| SMILES | CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1(C)CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1(C)CC(C)(C)N(C)C(C)(C)C1.CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C(=O)OOOOOOO)C(C)(C)C2)CC1(C)C.CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C44H76N2O5.C30H54N2O12.C30H56N2O4.C21H39NO4.8H2/c1-20-21-22-44(34(48)50-42(16)26-38(8,9)45(18)39(10,11)27-42,35(49)51-43(17)28-40(12,13)46(19)41(14,15)29-43)25-30-23-31(36(2,3)4)33(47)32(24-30)37(5,6)7;1-27(2)18-22(19-28(3,4)31(27)9)37-24(33)16-14-12-10-11-13-15-17-25(34)38-23-20-29(5,6)32(30(7,8)21-23)26(35)39-41-43-44-42-40-36;1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6;;;;;;;;/h23-24,47H,20-22,25-29H2,1-19H3;22-23,36H,10-21H2,1-9H3;23-24H,11-22H2,1-10H3;17H,7-16H2,1-6H3;8*1H |
| InChIKey | MKQZKGHJNASKGU-UHFFFAOYSA-N |
| XLogP | 28.95 |
| TPSA | 345.99 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 157 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2242.33 |
| LogP ≤ 5 | 28.95 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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