C295H412ClF5O60 — CID 161036832
[2-[2-chloro-3-methyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[3-ethyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;bis([2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate);[2-[6-[4-(3-fluoropropyl)cyclohexyl]naphthalen-2-yl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[7-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]heptyl] 2-(hydroxymethyl)prop-2-enoate;[5-[2-(hydroxymethyl)prop-2-enoyloxy]-3-[[4-(4-pentylcyclohexyl)phenyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-2-[6-(4-propylcyclohexyl)naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate (PubChem CID 161036832) has the molecular formula C295H412ClF5O60 and a molecular weight of 5048.92 g/mol. Its IUPAC name is [2-[2-chloro-3-methyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[3-ethyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;bis([2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate);[2-[6-[4-(3-fluoropropyl)cyclohexyl]naphthalen-2-yl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[7-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]heptyl] 2-(hydroxymethyl)prop-2-enoate;[5-[2-(hydroxymethyl)prop-2-enoyloxy]-3-[[4-(4-pentylcyclohexyl)phenyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-2-[6-(4-propylcyclohexyl)naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate.
| Compound Name | [2-[2-chloro-3-methyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[3-ethyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;bis([2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate);[2-[6-[4-(3-fluoropropyl)cyclohexyl]naphthalen-2-yl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[7-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]heptyl] 2-(hydroxymethyl)prop-2-enoate;[5-[2-(hydroxymethyl)prop-2-enoyloxy]-3-[[4-(4-pentylcyclohexyl)phenyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-2-[6-(4-propylcyclohexyl)naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate |
|---|---|
| PubChem CID | 161036832 |
| Molecular Formula | C295H412ClF5O60 |
| Molecular Weight | 5048.92 g/mol |
| Exact Mass | 5044.88 |
| IUPAC Name | [2-[2-chloro-3-methyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[2-[3-ethyl-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;bis([2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate);[2-[6-[4-(3-fluoropropyl)cyclohexyl]naphthalen-2-yl]-3-[2-(hydroxymethyl)prop-2-enoyloxy]propyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]butyl] 2-(hydroxymethyl)prop-2-enoate;[7-[2-(hydroxymethyl)prop-2-enoyloxy]-4-[4-(4-pentylcyclohexyl)phenyl]heptyl] 2-(hydroxymethyl)prop-2-enoate;[5-[2-(hydroxymethyl)prop-2-enoyloxy]-3-[[4-(4-pentylcyclohexyl)phenyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate;[3-[2-(hydroxymethyl)prop-2-enoyloxy]-2-[6-(4-propylcyclohexyl)naphthalen-2-yl]propyl] 2-(hydroxymethyl)prop-2-enoate |
| SMILES | C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc(C2CCC(CCCCC)CC2)c(C)c1Cl.C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc(C2CCC(CCCCC)CC2)c(CC)c1.C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc(C2CCC(CCCCC)CC2)c(F)c1F.C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc(C2CCC(CCCCC)CC2)cc1F.C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc(C2CCC(CCCCC)CC2)cc1F.C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc2cc(C3CCC(CCC)CC3)ccc2c1.C=C(CO)C(=O)OCC(COC(=O)C(=C)CO)c1ccc2cc(C3CCC(CCCF)CC3)ccc2c1.C=C(CO)C(=O)OCCC(CCOC(=O)C(=C)CO)Cc1ccc(C2CCC(CCCCC)CC2)cc1.C=C(CO)C(=O)OCCC(Cc1ccc(C2CCC(CCCCC)CC2)cc1)OC(=O)C(=C)CO.C=C(CO)C(=O)OCCCC(CCCOC(=O)C(=C)CO)c1ccc(C2CCC(CCCCC)CC2)cc1 |
| InChI | InChI=1S/C32H48O6.C31H46O6.C30H37FO6.C30H38O6.C30H44O6.C29H41ClO6.C29H42O6.C28H38F2O6.2C28H39FO6/c1-4-5-6-9-26-12-14-28(15-13-26)30-18-16-29(17-19-30)27(10-7-20-37-31(35)24(2)22-33)11-8-21-38-32(36)25(3)23-34;1-4-5-6-7-25-8-12-28(13-9-25)29-14-10-26(11-15-29)20-27(16-18-36-30(34)23(2)21-32)17-19-37-31(35)24(3)22-33;1-20(16-32)29(34)36-18-28(19-37-30(35)21(2)17-33)27-12-11-25-14-24(9-10-26(25)15-27)23-7-5-22(6-8-23)4-3-13-31;1-4-5-22-6-8-23(9-7-22)24-10-11-26-15-27(13-12-25(26)14-24)28(18-35-29(33)20(2)16-31)19-36-30(34)21(3)17-32;1-5-7-8-9-23-10-12-25(13-11-23)28-15-14-26(16-24(28)6-2)27(19-35-29(33)21(3)17-31)20-36-30(34)22(4)18-32;1-5-6-7-8-22-9-11-23(12-10-22)25-13-14-26(27(30)21(25)4)24(17-35-28(33)19(2)15-31)18-36-29(34)20(3)16-32;1-4-5-6-7-23-8-12-25(13-9-23)26-14-10-24(11-15-26)18-27(35-29(33)22(3)20-31)16-17-34-28(32)21(2)19-30;1-4-5-6-7-20-8-10-21(11-9-20)23-12-13-24(26(30)25(23)29)22(16-35-27(33)18(2)14-31)17-36-28(34)19(3)15-32;2*1-4-5-6-7-21-8-10-22(11-9-21)23-12-13-25(26(29)14-23)24(17-34-27(32)19(2)15-30)18-35-28(33)20(3)16-31/h16-19,26-28,33-34H,2-15,20-23H2,1H3;10-11,14-15,25,27-28,32-33H,2-9,12-13,16-22H2,1H3;9-12,14-15,22-23,28,32-33H,1-8,13,16-19H2;10-15,22-23,28,31-32H,2-9,16-19H2,1H3;14-16,23,25,27,31-32H,3-13,17-20H2,1-2H3;13-14,22-24,31-32H,2-3,5-12,15-18H2,1,4H3;10-11,14-15,23,25,27,30-31H,2-9,12-13,16-20H2,1H3;12-13,20-22,31-32H,2-11,14-17H2,1H3;2*12-14,21-22,24,30-31H,2-11,15-18H2,1H3 |
| InChIKey | UAIZWLGGMSYQMO-UHFFFAOYSA-N |
| XLogP | 53.49 |
| TPSA | 930.60 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 146 |
| Heavy Atoms | 361 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5048.92 |
| LogP ≤ 5 | 53.49 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 60 |