C295H394F20O50 — CID 159940128
[4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane;bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl 2-methylprop-2-enoate);bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl prop-2-enoate);bis(2-methylprop-2-enoic acid);bis(prop-2-enoic acid) (PubChem CID 159940128) has the molecular formula C295H394F20O50 and a molecular weight of 5120.31 g/mol. Its IUPAC name is [4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane;bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl 2-methylprop-2-enoate);bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl prop-2-enoate);bis(2-methylprop-2-enoic acid);bis(prop-2-enoic acid).
| Compound Name | [4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane;bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl 2-methylprop-2-enoate);bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl prop-2-enoate);bis(2-methylprop-2-enoic acid);bis(prop-2-enoic acid) |
|---|---|
| PubChem CID | 159940128 |
| Molecular Formula | C295H394F20O50 |
| Molecular Weight | 5120.31 g/mol |
| Exact Mass | 5116.80 |
| IUPAC Name | [4-[difluoro-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]cyclohexyl]methyl prop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]phenyl]phenyl]methyl prop-2-enoate;ethane;bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl 2-methylprop-2-enoate);bis([4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]phenyl]methyl prop-2-enoate);bis(2-methylprop-2-enoic acid);bis(prop-2-enoic acid) |
| SMILES | C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C(=C)C)CC2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(CC)CC3)cc2)cc1.C=C(C)C(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(CC)CC3)cc2)cc1.C=CC(=O)O.C=CC(=O)O.C=CC(=O)OCC1CCC(C(F)(F)Oc2ccc(COC(=O)C(=C)C)cc2)CC1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C(=C)C)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)C2CCC(COC(=O)C=C)CC2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(-c3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(CC)CC3)cc2)cc1.C=CC(=O)OCc1ccc(OC(F)(F)c2ccc(C3CCC(CC)CC3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC |
| InChI | InChI=1S/C28H24F2O5.C27H22F2O5.2C26H30F2O3.2C25H28F2O3.C23H28F2O5.2C22H26F2O5.C21H24F2O5.2C4H6O2.2C3H4O2.18C2H6/c1-4-26(31)33-17-21-7-15-25(16-8-21)35-28(29,30)24-13-11-23(12-14-24)22-9-5-20(6-10-22)18-34-27(32)19(2)3;1-3-25(30)32-17-19-5-9-21(10-6-19)22-11-13-23(14-12-22)27(28,29)34-24-15-7-20(8-16-24)18-33-26(31)4-2;2*1-4-19-5-9-21(10-6-19)22-11-13-23(14-12-22)26(27,28)31-24-15-7-20(8-16-24)17-30-25(29)18(2)3;2*1-3-18-5-9-20(10-6-18)21-11-13-22(14-12-21)25(26,27)30-23-15-7-19(8-16-23)17-29-24(28)4-2;1-15(2)21(26)28-13-17-5-9-19(10-6-17)23(24,25)30-20-11-7-18(8-12-20)14-29-22(27)16(3)4;1-4-20(25)27-13-17-7-11-19(12-8-17)29-22(23,24)18-9-5-16(6-10-18)14-28-21(26)15(2)3;1-4-20(25)27-13-16-5-9-18(10-6-16)22(23,24)29-19-11-7-17(8-12-19)14-28-21(26)15(2)3;1-3-19(24)26-13-15-5-9-17(10-6-15)21(22,23)28-18-11-7-16(8-12-18)14-27-20(25)4-2;2*1-3(2)4(5)6;2*1-2-3(4)5;18*1-2/h4-16H,1-2,17-18H2,3H3;3-16H,1-2,17-18H2;2*7-8,11-16,19,21H,2,4-6,9-10,17H2,1,3H3;2*4,7-8,11-16,18,20H,2-3,5-6,9-10,17H2,1H3;7-8,11-12,17,19H,1,3,5-6,9-10,13-14H2,2,4H3;2*4,7-8,11-12,16,18H,1-2,5-6,9-10,13-14H2,3H3;3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14H2;2*1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);18*1-2H3 |
| InChIKey | OATPZYVGNQXWSD-UHFFFAOYSA-N |
| XLogP | 79.49 |
| TPSA | 662.30 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 92 |
| Heavy Atoms | 365 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5120.31 |
| LogP ≤ 5 | 79.49 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 46 |