C365H554F2O26 — CID 159630976
[4-[4-[4-(4-butoxycyclohexyl)butyl]cyclohexyl]cyclohexyl] 2-fluoro-4-methylbenzoate;1,2-dimethyl-4-[4-[2-[4-(4-undecylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]benzene;1-[7-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxyhept-1-en-2-ylperoxy]-4-methylbenzene;1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene;3-[4-(4-hexylcyclohexyl)phenoxy]-1-[4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol;1-[(1E,3E)-4-methoxybuta-1,3-dienoxy]-4-[6-[4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]phenoxy]hexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene;1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1-methyl-4-[6-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenoxy]hexoxy]benzene;[4-[4-[4-[3-(4-methylphenoxy)propoxy]phenyl]butyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate (PubChem CID 159630976) has the molecular formula C365H554F2O26 and a molecular weight of 5396.42 g/mol. Its IUPAC name is [4-[4-[4-(4-butoxycyclohexyl)butyl]cyclohexyl]cyclohexyl] 2-fluoro-4-methylbenzoate;1,2-dimethyl-4-[4-[2-[4-(4-undecylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]benzene;1-[7-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxyhept-1-en-2-ylperoxy]-4-methylbenzene;1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene;3-[4-(4-hexylcyclohexyl)phenoxy]-1-[4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol;1-[(1E,3E)-4-methoxybuta-1,3-dienoxy]-4-[6-[4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]phenoxy]hexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene;1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1-methyl-4-[6-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenoxy]hexoxy]benzene;[4-[4-[4-[3-(4-methylphenoxy)propoxy]phenyl]butyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate.
| Compound Name | [4-[4-[4-(4-butoxycyclohexyl)butyl]cyclohexyl]cyclohexyl] 2-fluoro-4-methylbenzoate;1,2-dimethyl-4-[4-[2-[4-(4-undecylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]benzene;1-[7-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxyhept-1-en-2-ylperoxy]-4-methylbenzene;1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene;3-[4-(4-hexylcyclohexyl)phenoxy]-1-[4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol;1-[(1E,3E)-4-methoxybuta-1,3-dienoxy]-4-[6-[4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]phenoxy]hexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene;1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1-methyl-4-[6-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenoxy]hexoxy]benzene;[4-[4-[4-[3-(4-methylphenoxy)propoxy]phenyl]butyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate |
|---|---|
| PubChem CID | 159630976 |
| Molecular Formula | C365H554F2O26 |
| Molecular Weight | 5396.42 g/mol |
| Exact Mass | 5392.20 |
| IUPAC Name | [4-[4-[4-(4-butoxycyclohexyl)butyl]cyclohexyl]cyclohexyl] 2-fluoro-4-methylbenzoate;1,2-dimethyl-4-[4-[2-[4-(4-undecylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]benzene;1-[7-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]oxyhept-1-en-2-ylperoxy]-4-methylbenzene;1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene;3-[4-(4-hexylcyclohexyl)phenoxy]-1-[4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol;1-[(1E,3E)-4-methoxybuta-1,3-dienoxy]-4-[6-[4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]phenoxy]hexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene;1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1-methyl-4-[6-[4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]phenoxy]hexoxy]benzene;[4-[4-[4-[3-(4-methylphenoxy)propoxy]phenyl]butyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate |
| SMILES | C=C(CCCCCOC1CCC(C2CCC(C3CCC(CC)CC3)CC2)CC1)OOc1ccc(C)cc1.CCCCCCC1CCC(c2ccc(OCCC(O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.CCCCCCCCCCCC1CCC(C2CCC(C=CC3CCC(c4ccc(C)c(C)c4)CC3)CC2)CC1.CCCCOC1CCC(CCCCC2CCC(C3CCC(OC(=O)c4ccc(C)cc4F)CC3)CC2)CC1.CCc1ccc(-c2ccc(C3CCC(OCCCCOC4CCC(C)CC4)CC3)cc2F)cc1.CO/C=C/C=C/Oc1ccc(OCCCCCCOc2ccc(COOC3CCC(C4CCC(C)CC4)CC3)cc2)cc1.Cc1ccc(-c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc1.Cc1ccc(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)cc1.Cc1ccc(OCCCCCCOC2CCC(OCCCCOC3CCC(C4CCC(C)CC4)CC3)CC2)cc1.Cc1ccc(OCCCCCCOc2ccc(C3CCC(CCC4CCC(C)CC4)CC3)cc2)cc1.Cc1ccc(OCCCOc2ccc(CCCCC3CCC(OC(=O)C4CCC(C)CC4)CC3)cc2)cc1 |
| InChI | InChI=1S/C39H64.C37H52O6.C36H60O4.C34H53FO3.C34H48O4.C34H54O3.C34H50O2.C34H56O2.C31H43FO2.C26H40.C26H34/c1-4-5-6-7-8-9-10-11-12-13-33-17-24-36(25-18-33)37-26-19-34(20-27-37)15-16-35-21-28-38(29-22-35)39-23-14-31(2)32(3)30-39;1-30-9-13-32(14-10-30)33-15-19-37(20-16-33)43-42-29-31-11-17-34(18-12-31)39-26-5-3-4-6-27-40-35-21-23-36(24-22-35)41-28-8-7-25-38-2;1-29-9-13-31(14-10-29)32-15-19-34(20-16-32)39-27-7-8-28-40-36-23-21-35(22-24-36)38-26-6-4-3-5-25-37-33-17-11-30(2)12-18-33;1-3-4-23-37-30-18-12-27(13-19-30)8-6-5-7-26-10-14-28(15-11-26)29-16-20-31(21-17-29)38-34(36)32-22-9-25(2)24-33(32)35;1-26-8-16-30(17-9-26)34(35)38-33-22-14-29(15-23-33)7-4-3-6-28-12-20-32(21-13-28)37-25-5-24-36-31-18-10-27(2)11-19-31;1-4-28-11-13-29(14-12-28)30-15-17-31(18-16-30)32-19-23-33(24-20-32)35-25-7-5-6-8-27(3)36-37-34-21-9-26(2)10-22-34;1-27-7-11-29(12-8-27)13-14-30-15-17-31(18-16-30)32-19-23-34(24-20-32)36-26-6-4-3-5-25-35-33-21-9-28(2)10-22-33;1-3-4-5-6-7-27-10-14-29(15-11-27)31-20-22-33(23-21-31)36-25-24-34(35)32-18-16-30(17-19-32)28-12-8-26(2)9-13-28;1-3-24-8-10-26(11-9-24)30-19-14-27(22-31(30)32)25-12-17-29(18-13-25)34-21-5-4-20-33-28-15-6-23(2)7-16-28;2*1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h14-16,23,30,33-38H,4-13,17-22,24-29H2,1-3H3;7-8,11-12,17-18,21-25,28,30,32-33,37H,3-6,9-10,13-16,19-20,26-27,29H2,1-2H3;11-12,17-18,29,31-32,34-36H,3-10,13-16,19-28H2,1-2H3;9,22,24,26-31H,3-8,10-21,23H2,1-2H3;10-13,18-21,26,29-30,33H,3-9,14-17,22-25H2,1-2H3;9-10,21-22,28-33H,3-8,11-20,23-25H2,1-2H3;9-10,19-24,27,29-31H,3-8,11-18,25-26H2,1-2H3;20-23,26-30,32,34-35H,3-19,24-25H2,1-2H3;8-11,14,19,22-23,25,28-29H,3-7,12-13,15-18,20-21H2,1-2H3;3-4,7-8,20,22-26H,5-6,9-18H2,1-2H3;3-4,7-8,11-12,15-16,20,22,24,26H,5-6,9-10,13-14,17-18H2,1-2H3/b;25-7+,28-8+;;;;;;;;; |
| InChIKey | MPCSZHXYBQMAPI-MHALAXDNSA-N |
| XLogP | 103.50 |
| TPSA | 266.66 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 128 |
| Heavy Atoms | 393 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5396.42 |
| LogP ≤ 5 | 103.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 26 |