C302H398F6O32 — CID 161136763
ethane;[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[5-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[5-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl prop-2-enoate (PubChem CID 161136763) has the molecular formula C302H398F6O32 and a molecular weight of 4654.46 g/mol. Its IUPAC name is ethane;[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[5-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[5-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl prop-2-enoate.
| Compound Name | ethane;[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[5-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[5-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl prop-2-enoate |
|---|---|
| PubChem CID | 161136763 |
| Molecular Formula | C302H398F6O32 |
| Molecular Weight | 4654.46 g/mol |
| Exact Mass | 4650.94 |
| IUPAC Name | ethane;[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[5-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[2-[4-(2-methylprop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl 2-methylprop-2-enoate;[4-[2-[4-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]cyclohexyl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[5-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]naphthalen-1-yl]ethyl]phenyl]methyl prop-2-enoate;[4-[2-[4-[2-[4-(prop-2-enoyloxymethyl)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl prop-2-enoate |
| SMILES | C=C(C)C(=O)OCc1ccc(CCC2CCC(C3CCC(CCc4ccc(COC(=O)C(=C)C)cc4)CC3)CC2)cc1.C=C(C)C(=O)OCc1ccc(CCC2CCC(CCc3ccc(COC(=O)C(=C)C)cc3)CC2)cc1.C=C(C)C(=O)OCc1ccc(CCc2ccc(CCc3ccc(COC(=O)C(=C)C)cc3)c(C(F)(F)F)c2)cc1.C=C(C)C(=O)OCc1ccc(CCc2cccc3c(CCc4ccc(COC(=O)C(=C)C)cc4)cccc23)cc1.C=CC(=O)OCc1ccc(CCC2CCC(C3CCC(CCc4ccc(COC(=O)C=C)cc4)CC3)CC2)cc1.C=CC(=O)OCc1ccc(CCC2CCC(CCc3ccc(COC(=O)C=C)cc3)CC2)cc1.C=CC(=O)OCc1ccc(CCc2ccc(CCc3ccc(COC(=O)C=C)cc3)c(C(F)(F)F)c2)cc1.C=CC(=O)OCc1ccc(CCc2cccc3c(CCc4ccc(COC(=O)C=C)cc4)cccc23)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC |
| InChI | InChI=1S/C38H50O4.C36H36O4.C36H46O4.C34H32O4.C33H33F3O4.C32H40O4.C31H29F3O4.C30H36O4.16C2H6/c1-27(2)37(39)41-25-33-13-9-29(10-14-33)5-7-31-17-21-35(22-18-31)36-23-19-32(20-24-36)8-6-30-11-15-34(16-12-30)26-42-38(40)28(3)4;1-25(2)35(37)39-23-29-15-11-27(12-16-29)19-21-31-7-5-10-34-32(8-6-9-33(31)34)22-20-28-13-17-30(18-14-28)24-40-36(38)26(3)4;1-3-35(37)39-25-31-13-9-27(10-14-31)5-7-29-17-21-33(22-18-29)34-23-19-30(20-24-34)8-6-28-11-15-32(16-12-28)26-40-36(38)4-2;1-3-33(35)37-23-27-15-11-25(12-16-27)19-21-29-7-5-10-32-30(8-6-9-31(29)32)22-20-26-13-17-28(18-14-26)24-38-34(36)4-2;1-22(2)31(37)39-20-27-11-6-24(7-12-27)5-10-26-16-18-29(30(19-26)33(34,35)36)17-15-25-8-13-28(14-9-25)21-40-32(38)23(3)4;1-23(2)31(33)35-21-29-17-13-27(14-18-29)11-9-25-5-7-26(8-6-25)10-12-28-15-19-30(20-16-28)22-36-32(34)24(3)4;1-3-29(35)37-20-25-11-6-22(7-12-25)5-10-24-16-18-27(28(19-24)31(32,33)34)17-15-23-8-13-26(14-9-23)21-38-30(36)4-2;1-3-29(31)33-21-27-17-13-25(14-18-27)11-9-23-5-7-24(8-6-23)10-12-26-15-19-28(20-16-26)22-34-30(32)4-2;16*1-2/h9-16,31-32,35-36H,1,3,5-8,17-26H2,2,4H3;5-18H,1,3,19-24H2,2,4H3;3-4,9-16,29-30,33-34H,1-2,5-8,17-26H2;3-18H,1-2,19-24H2;6-9,11-14,16,18-19H,1,3,5,10,15,17,20-21H2,2,4H3;13-20,25-26H,1,3,5-12,21-22H2,2,4H3;3-4,6-9,11-14,16,18-19H,1-2,5,10,15,17,20-21H2;3-4,13-20,23-24H,1-2,5-12,21-22H2;16*1-2H3 |
| InChIKey | UMWZRIIHAAPILI-UHFFFAOYSA-N |
| XLogP | 76.43 |
| TPSA | 420.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 98 |
| Heavy Atoms | 340 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4654.46 |
| LogP ≤ 5 | 76.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |