C65H122N4O8 — CID 157489210
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane (PubChem CID 157489210) has the molecular formula C65H122N4O8 and a molecular weight of 1087.71 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane.
| Compound Name | bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane |
|---|---|
| PubChem CID | 157489210 |
| Molecular Formula | C65H122N4O8 |
| Molecular Weight | 1087.71 g/mol |
| Exact Mass | 1086.93 |
| IUPAC Name | bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate;1,1,3,3,5-pentamethylcyclohexane;1,1,3,3-tetramethylcyclohexane |
| SMILES | CC1(C)CC(OC(=O)CC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CCCC(C)(C)C1.CC1CC(C)(C)CC(C)(C)C1.CN1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C |
| InChI | InChI=1S/C23H42N2O4.C21H38N2O4.C11H22.C10H20/c1-20(2)12-16(13-21(3,4)24(20)9)28-18(26)11-19(27)29-17-14-22(5,6)25(10)23(7,8)15-17;1-18(2)10-14(11-19(3,4)22-18)26-16(24)9-17(25)27-15-12-20(5,6)23-21(7,8)13-15;1-9-6-10(2,3)8-11(4,5)7-9;1-9(2)6-5-7-10(3,4)8-9/h16-17H,11-15H2,1-10H3;14-15,22-23H,9-13H2,1-8H3;9H,6-8H2,1-5H3;5-8H2,1-4H3 |
| InChIKey | BXBMRQPZQCDLED-UHFFFAOYSA-N |
| XLogP | 14.32 |
| TPSA | 135.74 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 77 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1087.71 |
| LogP ≤ 5 | 14.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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