C98H166Br10N4O34 — CID 158437317
N,N-bis[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;2,3-bis[(2-bromo-2-methylpropyl)peroxy]propyl 2-methylprop-2-enoate;4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylprop-2-enoate;N-[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;[3-(2-bromo-2-methylpropyl)peroxy-2-hydroxypropyl] 2-methylprop-2-enoate;[4-[(2-bromo-2-methylpropyl)peroxymethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl 2-bromo-2-methylpropanoate (PubChem CID 158437317) has the molecular formula C98H166Br10N4O34 and a molecular weight of 2743.44 g/mol. Its IUPAC name is N,N-bis[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;2,3-bis[(2-bromo-2-methylpropyl)peroxy]propyl 2-methylprop-2-enoate;4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylprop-2-enoate;N-[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;[3-(2-bromo-2-methylpropyl)peroxy-2-hydroxypropyl] 2-methylprop-2-enoate;[4-[(2-bromo-2-methylpropyl)peroxymethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl 2-bromo-2-methylpropanoate.
| Compound Name | N,N-bis[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;2,3-bis[(2-bromo-2-methylpropyl)peroxy]propyl 2-methylprop-2-enoate;4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylprop-2-enoate;N-[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;[3-(2-bromo-2-methylpropyl)peroxy-2-hydroxypropyl] 2-methylprop-2-enoate;[4-[(2-bromo-2-methylpropyl)peroxymethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl 2-bromo-2-methylpropanoate |
|---|---|
| PubChem CID | 158437317 |
| Molecular Formula | C98H166Br10N4O34 |
| Molecular Weight | 2743.44 g/mol |
| Exact Mass | 2732.32 |
| IUPAC Name | N,N-bis[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;2,3-bis[(2-bromo-2-methylpropyl)peroxy]propyl 2-methylprop-2-enoate;4-[(2-bromo-2-methylpropanoyl)amino]butyl 2-methylprop-2-enoate;2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylprop-2-enoate;N-[2-(2-bromo-2-methylpropyl)peroxyethyl]-2-methylprop-2-enamide;[3-(2-bromo-2-methylpropyl)peroxy-2-hydroxypropyl] 2-methylprop-2-enoate;[4-[(2-bromo-2-methylpropyl)peroxymethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl 2-bromo-2-methylpropanoate |
| SMILES | C=C(C)C(=O)N(CCOOCC(C)(C)Br)CCOOCC(C)(C)Br.C=C(C)C(=O)NCCOOCC(C)(C)Br.C=C(C)C(=O)OC1CCC(COOCC(C)(C)Br)CC1O.C=C(C)C(=O)OCC(COOCC(C)(C)Br)OOCC(C)(C)Br.C=C(C)C(=O)OCC(O)COOCC(C)(C)Br.C=C(C)C(=O)OCCCCNC(=O)C(C)(C)Br.C=C(C)C(=O)OCCNC(=O)C(C)(C)Br.C=CC(=O)OCCOC(=O)C(C)(C)Br |
| InChI | InChI=1S/C16H29Br2NO5.C15H26Br2O6.C15H25BrO5.C12H20BrNO3.C11H19BrO5.C10H18BrNO3.C10H16BrNO3.C9H13BrO4/c1-13(2)14(20)19(7-9-21-23-11-15(3,4)17)8-10-22-24-12-16(5,6)18;1-11(2)13(18)19-7-12(23-22-10-15(5,6)17)8-20-21-9-14(3,4)16;1-10(2)14(18)21-13-6-5-11(7-12(13)17)8-19-20-9-15(3,4)16;1-9(2)10(15)17-8-6-5-7-14-11(16)12(3,4)13;1-8(2)10(14)15-5-9(13)6-16-17-7-11(3,4)12;1-8(2)9(13)12-5-6-14-15-7-10(3,4)11;1-7(2)8(13)15-6-5-12-9(14)10(3,4)11;1-4-7(11)13-5-6-14-8(12)9(2,3)10/h1,7-12H2,2-6H3;12H,1,7-10H2,2-6H3;11-13,17H,1,5-9H2,2-4H3;1,5-8H2,2-4H3,(H,14,16);9,13H,1,5-7H2,2-4H3;1,5-7H2,2-4H3,(H,12,13);1,5-6H2,2-4H3,(H,12,14);4H,1,5-6H2,2-3H3 |
| InChIKey | HCJUBGLMTDLITK-UHFFFAOYSA-N |
| XLogP | 18.50 |
| TPSA | 461.39 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2743.44 |
| LogP ≤ 5 | 18.50 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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