AC1MII6U
[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-bromobutyl)pyridine-2-carboxylate
Also Known As: 17-ACETOXYPREGNENOLONE|dl-alpha-Tocopheryl 5-(4-bromobutyl)picolinate|2-Pyridinecarboxylic acid, 5-(4-bromobutyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester|[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-bromobutyl)pyridine-2-carboxylate|2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-(4-bromobutyl)pyridine-2-carboxylate|2-Pyridinecarboxylic acid,5-(4-bromobutyl)-,3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
| Molecular Formula | C39H60BrNO3 |
|---|---|
| Molecular Weight | 669.3757 g/mol |
| LogP | 11.46646 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 669.3757 |
| Monoisotopic Mass | 669.3757 |
| Heavy Atoms | 44 |
| Complexity | 1191.0892 |
Chemical Identifiers
| CAS Number | 85446-74-8 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C3=NC=C(C=C3)CCCCBr)C |
Product Overview
AC1MII6U (CAS 85446-74-8), with molecular formula C39H60BrNO3 and molecular weight 669.3757 g/mol. IUPAC: [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] 5-(4-bromobutyl)pyridine-2-carboxylate.