C197H412 — CID 159136982
2,3,6,10,14,15-hexamethylhexadecane;bis(2,3,7,11,15-pentamethylheptadecane);2,4,8,12,16-pentamethylheptadecane;2,6,7,10,14-pentamethylheptadecane;2,6,10,10,14-pentamethylheptadecane;2,6,10,14,15-pentamethylheptadecane;3,7,8,11,15-pentamethylheptadecane;3,7,11,15-tetramethylheptadecane (PubChem CID 159136982) has the molecular formula C197H412 and a molecular weight of 2781.46 g/mol. Its IUPAC name is 2,3,6,10,14,15-hexamethylhexadecane;bis(2,3,7,11,15-pentamethylheptadecane);2,4,8,12,16-pentamethylheptadecane;2,6,7,10,14-pentamethylheptadecane;2,6,10,10,14-pentamethylheptadecane;2,6,10,14,15-pentamethylheptadecane;3,7,8,11,15-pentamethylheptadecane;3,7,11,15-tetramethylheptadecane.
| Compound Name | 2,3,6,10,14,15-hexamethylhexadecane;bis(2,3,7,11,15-pentamethylheptadecane);2,4,8,12,16-pentamethylheptadecane;2,6,7,10,14-pentamethylheptadecane;2,6,10,10,14-pentamethylheptadecane;2,6,10,14,15-pentamethylheptadecane;3,7,8,11,15-pentamethylheptadecane;3,7,11,15-tetramethylheptadecane |
|---|---|
| PubChem CID | 159136982 |
| Molecular Formula | C197H412 |
| Molecular Weight | 2781.46 g/mol |
| Exact Mass | 2779.22 |
| IUPAC Name | 2,3,6,10,14,15-hexamethylhexadecane;bis(2,3,7,11,15-pentamethylheptadecane);2,4,8,12,16-pentamethylheptadecane;2,6,7,10,14-pentamethylheptadecane;2,6,10,10,14-pentamethylheptadecane;2,6,10,14,15-pentamethylheptadecane;3,7,8,11,15-pentamethylheptadecane;3,7,11,15-tetramethylheptadecane |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(C)C.CC(CCCC(C)CCC(C)C(C)C)CCCC(C)C(C)C.CCC(C)C(C)CCCC(C)CCCC(C)CCCC(C)C.CCC(C)CCCC(C)CCC(C)C(C)CCCC(C)CC.CCC(C)CCCC(C)CCCC(C)CCCC(C)C(C)C.CCC(C)CCCC(C)CCCC(C)CCCC(C)C(C)C.CCC(C)CCCC(C)CCCC(C)CCCC(C)CC.CCCC(C)CCCC(C)(C)CCCC(C)CCCC(C)C.CCCC(C)CCCC(C)CCC(C)C(C)CCCC(C)C |
| InChI | InChI=1S/8C22H46.C21H44/c1-17(2)21(7)14-10-13-19(5)11-9-12-20(6)15-16-22(8)18(3)4;1-18(2)11-8-12-20(5)13-9-14-21(6)15-10-16-22(7)17-19(3)4;2*1-8-19(4)12-9-13-20(5)14-10-15-21(6)16-11-17-22(7)18(2)3;1-8-21(6)22(7)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3;1-8-12-20(4)15-10-17-22(6,7)18-11-16-21(5)14-9-13-19(2)3;1-8-11-19(4)13-10-14-20(5)16-17-22(7)21(6)15-9-12-18(2)3;1-8-18(3)12-10-14-20(5)16-17-22(7)21(6)15-11-13-19(4)9-2;1-7-18(3)12-9-14-20(5)16-11-17-21(6)15-10-13-19(4)8-2/h17-22H,9-16H2,1-8H3;4*18-22H,8-17H2,1-7H3;19-21H,8-18H2,1-7H3;2*18-22H,8-17H2,1-7H3;18-21H,7-17H2,1-6H3 |
| InChIKey | KHPQIEMQHHQJKJ-UHFFFAOYSA-N |
| XLogP | 72.72 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 125 |
| Heavy Atoms | 197 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2781.46 |
| LogP ≤ 5 | 72.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |