(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane

C216H329F15N2O35SSi9 — CID 161394573

IUPAC(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane
SMILESC.CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F.CCC(C(=O)Cc1ccc2cnccc2c1)c1ccc(CO)cc1.CCC(C(=O)Cc1ccc2cnccc2c1)c1ccc(COC(=O)CCC/C=C\C[C@@H]2[C@@H](/C=C/[C@H](COc3cccc(C)c3)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1.CO.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@H](COc1cccc(C(F)(F)F)c1)O[Si](C)(C)C(C)(C)C.C[Si](C)(C)C.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C62H93NO7Si3.C37H61F3O5Si2.C36H59F3O5Si2.C24H31F3O6.C23H29F3O6.C21H21NO2.C7H15F3O3SSi.C4H12Si.CH4O.CH4/c1-18-53(56(64)40-47-30-33-50-42-63-37-36-49(50)39-47)48-31-28-46(29-32-48)43-67-59(65)27-22-20-19-21-26-54-55(58(70-73(16,17)62(9,10)11)41-57(54)69-72(14,15)61(6,7)8)35-34-52(68-71(12,13)60(3,4)5)44-66-51-25-23-24-45(2)38-51;1-27-24-33(45-47(11,12)36(5,6)7)32(20-15-13-14-16-21-34(41)42-8)31(27)23-22-30(44-46(9,10)35(2,3)4)26-43-29-19-17-18-28(25-29)37(38,39)40;1-26-23-32(44-46(10,11)35(5,6)7)31(19-14-12-13-15-20-33(40)41)30(26)22-21-29(43-45(8,9)34(2,3)4)25-42-28-18-16-17-27(24-28)36(37,38)39;1-32-23(31)10-5-3-2-4-9-19-20(22(30)14-21(19)29)12-11-17(28)15-33-18-8-6-7-16(13-18)24(25,26)27;24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31;1-2-20(17-6-3-15(14-23)4-7-17)21(24)12-16-5-8-19-13-22-10-9-18(19)11-16;1-6(2,3)15(4,5)13-14(11,12)7(8,9)10;1-5(2,3)4;1-2;/h19,21,23-25,28-39,42,52-55,57-58H,18,20,22,26-27,40-41,43-44H2,1-17H3;13,15,17-19,22-23,25,27,30-33H,14,16,20-21,24,26H2,1-12H3;12,14,16-18,21-22,24,26,29-32H,13,15,19-20,23,25H2,1-11H3,(H,40,41);2,4,6-8,11-13,17,19-22,28-30H,3,5,9-10,14-15H2,1H3;1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31);3-11,13,20,23H,2,12,14H2,1H3;1-5H3;1-4H3;2H,1H3;1H4/b21-19-,35-34+;15-13-,23-22+;14-12-,22-21+;4-2-,12-11+;3-1-,11-10+;;;;;/t52-,53?,54-,55-,57+,58-;27-,30-,31+,32-,33+;26-,29-,30+,31-,32+;17-,19-,20-,21+,22-;16-,18-,19-,20+,21-;;;;;/m11111...../s1
InChIKeyVTKUXZXXIBWYRA-APWKQFPSSA-N
MW4083.80 g/mol
LogP54.63
Rot. Bonds84

About (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane

(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane (PubChem CID 161394573) has the molecular formula C216H329F15N2O35SSi9 and a molecular weight of 4083.80 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane
PubChem CID161394573
Molecular FormulaC216H329F15N2O35SSi9
Molecular Weight4083.80 g/mol
Exact Mass4080.14
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane
SMILESC.CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F.CCC(C(=O)Cc1ccc2cnccc2c1)c1ccc(CO)cc1.CCC(C(=O)Cc1ccc2cnccc2c1)c1ccc(COC(=O)CCC/C=C\C[C@@H]2[C@@H](/C=C/[C@H](COc3cccc(C)c3)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1.CO.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@H](COc1cccc(C(F)(F)F)c1)O[Si](C)(C)C(C)(C)C.C[Si](C)(C)C.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C62H93NO7Si3.C37H61F3O5Si2.C36H59F3O5Si2.C24H31F3O6.C23H29F3O6.C21H21NO2.C7H15F3O3SSi.C4H12Si.CH4O.CH4/c1-18-53(56(64)40-47-30-33-50-42-63-37-36-49(50)39-47)48-31-28-46(29-32-48)43-67-59(65)27-22-20-19-21-26-54-55(58(70-73(16,17)62(9,10)11)41-57(54)69-72(14,15)61(6,7)8)35-34-52(68-71(12,13)60(3,4)5)44-66-51-25-23-24-45(2)38-51;1-27-24-33(45-47(11,12)36(5,6)7)32(20-15-13-14-16-21-34(41)42-8)31(27)23-22-30(44-46(9,10)35(2,3)4)26-43-29-19-17-18-28(25-29)37(38,39)40;1-26-23-32(44-46(10,11)35(5,6)7)31(19-14-12-13-15-20-33(40)41)30(26)22-21-29(43-45(8,9)34(2,3)4)25-42-28-18-16-17-27(24-28)36(37,38)39;1-32-23(31)10-5-3-2-4-9-19-20(22(30)14-21(19)29)12-11-17(28)15-33-18-8-6-7-16(13-18)24(25,26)27;24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31;1-2-20(17-6-3-15(14-23)4-7-17)21(24)12-16-5-8-19-13-22-10-9-18(19)11-16;1-6(2,3)15(4,5)13-14(11,12)7(8,9)10;1-5(2,3)4;1-2;/h19,21,23-25,28-39,42,52-55,57-58H,18,20,22,26-27,40-41,43-44H2,1-17H3;13,15,17-19,22-23,25,27,30-33H,14,16,20-21,24,26H2,1-12H3;12,14,16-18,21-22,24,26,29-32H,13,15,19-20,23,25H2,1-11H3,(H,40,41);2,4,6-8,11-13,17,19-22,28-30H,3,5,9-10,14-15H2,1H3;1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31);3-11,13,20,23H,2,12,14H2,1H3;1-5H3;1-4H3;2H,1H3;1H4/b21-19-,35-34+;15-13-,23-22+;14-12-,22-21+;4-2-,12-11+;3-1-,11-10+;;;;;/t52-,53?,54-,55-,57+,58-;27-,30-,31+,32-,33+;26-,29-,30+,31-,32+;17-,19-,20-,21+,22-;16-,18-,19-,20+,21-;;;;;/m11111...../s1
InChIKeyVTKUXZXXIBWYRA-APWKQFPSSA-N
XLogP54.63
TPSA529.39 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds84
Heavy Atoms278
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004083.80
LogP ≤ 554.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane?
The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane (CID 161394573) is (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane.
What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane?
The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane is C.CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F.CCC(C(=O)Cc1ccc2cnccc2c1)c1ccc(CO)cc1.CCC(C(=O)Cc1ccc2cnccc2c1)c1ccc(COC(=O)CCC/C=C\C[C@@H]2[C@@H](/C=C/[C@H](COc3cccc(C)c3)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)cc1.CO.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@H](COc1cccc(C(F)(F)F)c1)O[Si](C)(C)C(C)(C)C.C[Si](C)(C)C.O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane?
The InChIKey is VTKUXZXXIBWYRA-APWKQFPSSA-N. The full InChI is InChI=1S/C62H93NO7Si3.C37H61F3O5Si2.C36H59F3O5Si2.C24H31F3O6.C23H29F3O6.C21H21NO2.C7H15F3O3SSi.C4H12Si.CH4O.CH4/c1-18-53(56(64)40-47-30-33-50-42-63-37-36-49(50)39-47)48-31-28-46(29-32-48)43-67-59(65)27-22-20-19-21-26-54-55(58(70-73(16,17)62(9,10)11)41-57(54)69-72(14,15)61(6,7)8)35-34-52(68-71(12,13)60(3,4)5)44-66-51-25-23-24-45(2)38-51;1-27-24-33(45-47(11,12)36(5,6)7)32(20-15-13-14-16-21-34(41)42-8)31(27)23-22-30(44-46(9,10)35(2,3)4)26-43-29-19-17-18-28(25-29)37(38,39)40;1-26-23-32(44-46(10,11)35(5,6)7)31(19-14-12-13-15-20-33(40)41)30(26)22-21-29(43-45(8,9)34(2,3)4)25-42-28-18-16-17-27(24-28)36(37,38)39;1-32-23(31)10-5-3-2-4-9-19-20(22(30)14-21(19)29)12-11-17(28)15-33-18-8-6-7-16(13-18)24(25,26)27;24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31;1-2-20(17-6-3-15(14-23)4-7-17)21(24)12-16-5-8-19-13-22-10-9-18(19)11-16;1-6(2,3)15(4,5)13-14(11,12)7(8,9)10;1-5(2,3)4;1-2;/h19,21,23-25,28-39,42,52-55,57-58H,18,20,22,26-27,40-41,43-44H2,1-17H3;13,15,17-19,22-23,25,27,30-33H,14,16,20-21,24,26H2,1-12H3;12,14,16-18,21-22,24,26,29-32H,13,15,19-20,23,25H2,1-11H3,(H,40,41);2,4,6-8,11-13,17,19-22,28-30H,3,5,9-10,14-15H2,1H3;1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31);3-11,13,20,23H,2,12,14H2,1H3;1-5H3;1-4H3;2H,1H3;1H4/b21-19-,35-34+;15-13-,23-22+;14-12-,22-21+;4-2-,12-11+;3-1-,11-10+;;;;;/t52-,53?,54-,55-,57+,58-;27-,30-,31+,32-,33+;26-,29-,30+,31-,32+;17-,19-,20-,21+,22-;16-,18-,19-,20+,21-;;;;;/m11111...../s1.
What are the key properties of (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane?
(Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane has a molecular weight of 4083.80 g/mol, XLogP of 54.63, 84 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoic acid;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid;3-[4-(hydroxymethyl)phenyl]-1-isoquinolin-6-ylpentan-2-one;[4-(1-isoquinolin-6-yl-2-oxopentan-3-yl)phenyl]methyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-methylphenoxy)but-1-enyl]cyclopentyl]hept-5-enoate;methane;methanol;methyl (Z)-7-[(1R,2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-methylcyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;tetramethylsilane is sourced from PubChem (CID 161394573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).