C160H130F20O50 — CID 158384060
[2,3,5,6-tetrafluoro-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-(5-prop-2-enoyloxypentoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate (PubChem CID 158384060) has the molecular formula C160H130F20O50 and a molecular weight of 3232.71 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-(5-prop-2-enoyloxypentoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate.
| Compound Name | [2,3,5,6-tetrafluoro-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-(5-prop-2-enoyloxypentoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate |
|---|---|
| PubChem CID | 158384060 |
| Molecular Formula | C160H130F20O50 |
| Molecular Weight | 3232.71 g/mol |
| Exact Mass | 3230.73 |
| IUPAC Name | [2,3,5,6-tetrafluoro-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-(5-prop-2-enoyloxypentoxy)benzoate;[2,3,5,6-tetrafluoro-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate |
| SMILES | C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2c(F)c(F)c(OC(=O)c3ccc(OCCCCCOC(=O)C=C)cc3)c(F)c2F)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2c(F)c(F)c(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(F)c2F)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2c(F)c(F)c(OC(=O)c3ccc(OCCCOC(=O)C=C)cc3)c(F)c2F)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2c(F)c(F)c(OC(=O)c3ccc(OCCOC(=O)C=C)cc3)c(F)c2F)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2c(F)c(F)c(OC(=O)c3ccc(OCOC(=O)C=C)cc3)c(F)c2F)cc1 |
| InChI | InChI=1S/C36H34F4O10.C34H30F4O10.C32H26F4O10.C30H22F4O10.C28H18F4O10/c1-3-27(41)47-21-9-5-7-19-45-25-15-11-23(12-16-25)35(43)49-33-29(37)31(39)34(32(40)30(33)38)50-36(44)24-13-17-26(18-14-24)46-20-8-6-10-22-48-28(42)4-2;1-3-25(39)45-19-7-5-17-43-23-13-9-21(10-14-23)33(41)47-31-27(35)29(37)32(30(38)28(31)36)48-34(42)22-11-15-24(16-12-22)44-18-6-8-20-46-26(40)4-2;1-3-23(37)43-17-5-15-41-21-11-7-19(8-12-21)31(39)45-29-25(33)27(35)30(28(36)26(29)34)46-32(40)20-9-13-22(14-10-20)42-16-6-18-44-24(38)4-2;1-3-21(35)41-15-13-39-19-9-5-17(6-10-19)29(37)43-27-23(31)25(33)28(26(34)24(27)32)44-30(38)18-7-11-20(12-8-18)40-14-16-42-22(36)4-2;1-3-19(33)39-13-37-17-9-5-15(6-10-17)27(35)41-25-21(29)23(31)26(24(32)22(25)30)42-28(36)16-7-11-18(12-8-16)38-14-40-20(34)4-2/h3-4,11-18H,1-2,5-10,19-22H2;3-4,9-16H,1-2,5-8,17-20H2;3-4,7-14H,1-2,5-6,15-18H2;3-12H,1-2,13-16H2;3-12H,1-2,13-14H2 |
| InChIKey | GWDQCSSTESQTPR-UHFFFAOYSA-N |
| XLogP | 29.08 |
| TPSA | 618.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3232.71 |
| LogP ≤ 5 | 29.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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