C124H82F102O17Si3 — CID 20607801
(E)-5-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[3-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[(E)-4-[tris[[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]silyl]but-1-enyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]propyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol (PubChem CID 20607801) has the molecular formula C124H82F102O17Si3 and a molecular weight of 3866.06 g/mol. Its IUPAC name is (E)-5-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[3-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[(E)-4-[tris[[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]silyl]but-1-enyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]propyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol.
| Compound Name | (E)-5-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[3-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[(E)-4-[tris[[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]silyl]but-1-enyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]propyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol |
|---|---|
| PubChem CID | 20607801 |
| Molecular Formula | C124H82F102O17Si3 |
| Molecular Weight | 3866.06 g/mol |
| Exact Mass | 3864.32 |
| IUPAC Name | (E)-5-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[3-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propyl-[(E)-4-[tris[[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]silyl]but-1-enyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]propyl]-[2-[4,6,8-tris(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]ethyl]silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol |
| SMILES | OC(C/C=C/[Si](CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)(CCC[Si](/C=C/CC[Si](Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)(Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)(CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c2c1)CCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c2c1)(C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C124H82F102O17Si3/c125-91(126,127)74(227,92(128,129)130)11-5-16-245(15-4-8-48-23-56(77(230,97(143,144)145)98(146,147)148)36-57(24-48)78(231,99(149,150)151)100(152,153)154,20-10-50-32-67-69(71(34-50)88(241,119(209,210)211)120(212,213)214)41-65(86(239,115(197,198)199)116(200,201)202)43-73(67)90(243,123(221,222)223)124(224,225)226)18-6-17-244(14-3-7-47-21-54(75(228,93(131,132)133)94(134,135)136)35-55(22-47)76(229,95(137,138)139)96(140,141)142,19-9-49-31-66-68(70(33-49)87(240,117(203,204)205)118(206,207)208)40-64(85(238,113(191,192)193)114(194,195)196)42-72(66)89(242,121(215,216)217)122(218,219)220)12-1-2-13-246(44-51-25-58(79(232,101(155,156)157)102(158,159)160)37-59(26-51)80(233,103(161,162)163)104(164,165)166,45-52-27-60(81(234,105(167,168)169)106(170,171)172)38-61(28-52)82(235,107(173,174)175)108(176,177)178)46-53-29-62(83(236,109(179,180)181)110(182,183)184)39-63(30-53)84(237,111(185,186)187)112(188,189)190/h1,5,12,16,21-43,227-243H,2-4,6-11,13-15,17-20,44-46H2/b12-1+,16-5+ |
| InChIKey | USTVGVUXRSCJLA-FEHBTZOQSA-N |
| XLogP | 41.95 |
| TPSA | 343.91 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 246 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3866.06 |
| LogP ≤ 5 | 41.95 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 17 |