C101H208N6 — CID 159958458
carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane (PubChem CID 159958458) has the molecular formula C101H208N6 and a molecular weight of 1506.82 g/mol. Its IUPAC name is carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane.
| Compound Name | carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane |
|---|---|
| PubChem CID | 159958458 |
| Molecular Formula | C101H208N6 |
| Molecular Weight | 1506.82 g/mol |
| Exact Mass | 1505.65 |
| IUPAC Name | carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane |
| SMILES | CC1C(C)C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)CC1C.CC1CCC(C)C(C)[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-] |
| InChI | InChI=1S/C17H34N.3C16H32N.2C15H30N.6CH3/c1-12-13(2)15(4)17(6)18(16(5)14(12)3)10-8-7-9-11-18;1-12-11-17(9-7-6-8-10-17)16(5)15(4)14(3)13(12)2;1-12-11-13(2)17(9-7-6-8-10-17)16(5)15(4)14(12)3;1-12-11-13(2)15(4)17(16(5)14(12)3)9-7-6-8-10-17;1-12-8-9-13(2)15(4)16(14(12)3)10-6-5-7-11-16;1-12-10-14(3)16(8-6-5-7-9-16)15(4)11-13(12)2;;;;;;/h12-17H,7-11H2,1-6H3;3*12-16H,6-11H2,1-5H3;2*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1 |
| InChIKey | CCZSEPYOKPFDBH-UHFFFAOYSA-N |
| XLogP | 26.77 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 107 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1506.82 |
| LogP ≤ 5 | 26.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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