tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate

C145H207Br3F7NO22SSi4 — CID 172967127

IUPACtert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate
SMILESCC(C)(C)[Si](C)(C)S(=O)(=O)C(F)(F)F.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(=O)CCc2ccccc2F)[C@H](OCc2ccccc2Br)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@](C)(O)CCc2ccccc2F)[C@H](OCc2ccccc2Br)C[C@@H]1O[Si](C)(C)C(C)(C)C.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@](C)(CCc2ccccc2F)O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2Br)C[C@@H]1O[Si](C)(C)C(C)(C)C.COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C/C(=N/O)[C@@H]1/C=C/[C@@](C)(O)CCc1ccccc1F
InChIInChI=1S/C44H68BrFO5Si2.C38H54BrFO5Si.C31H36BrFO5.C25H34FNO5.C7H15F3O2SSi/c1-42(2,3)52(9,10)50-40-31-39(49-32-34-22-17-19-24-37(34)45)36(35(40)23-15-13-14-16-26-41(47)48-8)28-30-44(7,51-53(11,12)43(4,5)6)29-27-33-21-18-20-25-38(33)46;1-37(2,3)46(6,7)45-35-26-34(44-27-29-17-12-14-19-32(29)39)31(30(35)18-10-8-9-11-21-36(41)43-5)23-25-38(4,42)24-22-28-16-13-15-20-33(28)40;1-37-31(36)15-5-3-2-4-12-25-26(19-18-24(34)17-16-22-10-7-9-14-28(22)33)30(20-29(25)35)38-21-23-11-6-8-13-27(23)32;1-25(30,15-13-18-9-7-8-11-21(18)26)16-14-19-20(23(28)17-22(19)27-31)10-5-3-4-6-12-24(29)32-2;1-6(2,3)14(4,5)13(11,12)7(8,9)10/h13,15,17-22,24-25,28,30,35-36,39-40H,14,16,23,26-27,29,31-32H2,1-12H3;8,10,12-17,19-20,23,25,30-31,34-35,42H,9,11,18,21-22,24,26-27H2,1-7H3;2,4,6-11,13-14,18-19,25-26,29-30,35H,3,5,12,15-17,20-21H2,1H3;3,5,7-9,11,14,16,19-20,23,28,30-31H,4,6,10,12-13,15,17H2,1-2H3;1-5H3/b15-13-,30-28+;10-8-,25-23+;4-2-,19-18+;5-3-,16-14+,27-22-;/t35-,36-,39-,40+,44+;30-,31-,34-,35+,38+;25-,26-,29+,30-;19-,20-,23+,25+;/m1111./s1
InChIKeyDJWIVQWAGORQMR-JJNXFAKKSA-N
MW2833.34 g/mol
LogP36.12
Rot. Bonds60

About tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate

tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate (PubChem CID 172967127) has the molecular formula C145H207Br3F7NO22SSi4 and a molecular weight of 2833.34 g/mol. Its IUPAC name is tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate.

Molecular Properties

Compound Nametert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate
PubChem CID172967127
Molecular FormulaC145H207Br3F7NO22SSi4
Molecular Weight2833.34 g/mol
Exact Mass2828.13
IUPAC Nametert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate
SMILESCC(C)(C)[Si](C)(C)S(=O)(=O)C(F)(F)F.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(=O)CCc2ccccc2F)[C@H](OCc2ccccc2Br)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@](C)(O)CCc2ccccc2F)[C@H](OCc2ccccc2Br)C[C@@H]1O[Si](C)(C)C(C)(C)C.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@](C)(CCc2ccccc2F)O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2Br)C[C@@H]1O[Si](C)(C)C(C)(C)C.COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C/C(=N/O)[C@@H]1/C=C/[C@@](C)(O)CCc1ccccc1F
InChIInChI=1S/C44H68BrFO5Si2.C38H54BrFO5Si.C31H36BrFO5.C25H34FNO5.C7H15F3O2SSi/c1-42(2,3)52(9,10)50-40-31-39(49-32-34-22-17-19-24-37(34)45)36(35(40)23-15-13-14-16-26-41(47)48-8)28-30-44(7,51-53(11,12)43(4,5)6)29-27-33-21-18-20-25-38(33)46;1-37(2,3)46(6,7)45-35-26-34(44-27-29-17-12-14-19-32(29)39)31(30(35)18-10-8-9-11-21-36(41)43-5)23-25-38(4,42)24-22-28-16-13-15-20-33(28)40;1-37-31(36)15-5-3-2-4-12-25-26(19-18-24(34)17-16-22-10-7-9-14-28(22)33)30(20-29(25)35)38-21-23-11-6-8-13-27(23)32;1-25(30,15-13-18-9-7-8-11-21(18)26)16-14-19-20(23(28)17-22(19)27-31)10-5-3-4-6-12-24(29)32-2;1-6(2,3)14(4,5)13(11,12)7(8,9)10/h13,15,17-22,24-25,28,30,35-36,39-40H,14,16,23,26-27,29,31-32H2,1-12H3;8,10,12-17,19-20,23,25,30-31,34-35,42H,9,11,18,21-22,24,26-27H2,1-7H3;2,4,6-11,13-14,18-19,25-26,29-30,35H,3,5,12,15-17,20-21H2,1H3;3,5,7-9,11,14,16,19-20,23,28,30-31H,4,6,10,12-13,15,17H2,1-2H3;1-5H3/b15-13-,30-28+;10-8-,25-23+;4-2-,19-18+;5-3-,16-14+,27-22-;/t35-,36-,39-,40+,44+;30-,31-,34-,35+,38+;25-,26-,29+,30-;19-,20-,23+,25+;/m1111./s1
InChIKeyDJWIVQWAGORQMR-JJNXFAKKSA-N
XLogP36.12
TPSA325.30 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds60
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002833.34
LogP ≤ 536.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate?
The IUPAC name of tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate (CID 172967127) is tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate.
What is the SMILES notation for tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate?
The canonical SMILES for tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate is CC(C)(C)[Si](C)(C)S(=O)(=O)C(F)(F)F.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(=O)CCc2ccccc2F)[C@H](OCc2ccccc2Br)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@](C)(O)CCc2ccccc2F)[C@H](OCc2ccccc2Br)C[C@@H]1O[Si](C)(C)C(C)(C)C.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@](C)(CCc2ccccc2F)O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2Br)C[C@@H]1O[Si](C)(C)C(C)(C)C.COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C/C(=N/O)[C@@H]1/C=C/[C@@](C)(O)CCc1ccccc1F.
What is the InChIKey of tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate?
The InChIKey is DJWIVQWAGORQMR-JJNXFAKKSA-N. The full InChI is InChI=1S/C44H68BrFO5Si2.C38H54BrFO5Si.C31H36BrFO5.C25H34FNO5.C7H15F3O2SSi/c1-42(2,3)52(9,10)50-40-31-39(49-32-34-22-17-19-24-37(34)45)36(35(40)23-15-13-14-16-26-41(47)48-8)28-30-44(7,51-53(11,12)43(4,5)6)29-27-33-21-18-20-25-38(33)46;1-37(2,3)46(6,7)45-35-26-34(44-27-29-17-12-14-19-32(29)39)31(30(35)18-10-8-9-11-21-36(41)43-5)23-25-38(4,42)24-22-28-16-13-15-20-33(28)40;1-37-31(36)15-5-3-2-4-12-25-26(19-18-24(34)17-16-22-10-7-9-14-28(22)33)30(20-29(25)35)38-21-23-11-6-8-13-27(23)32;1-25(30,15-13-18-9-7-8-11-21(18)26)16-14-19-20(23(28)17-22(19)27-31)10-5-3-4-6-12-24(29)32-2;1-6(2,3)14(4,5)13(11,12)7(8,9)10/h13,15,17-22,24-25,28,30,35-36,39-40H,14,16,23,26-27,29,31-32H2,1-12H3;8,10,12-17,19-20,23,25,30-31,34-35,42H,9,11,18,21-22,24,26-27H2,1-7H3;2,4,6-11,13-14,18-19,25-26,29-30,35H,3,5,12,15-17,20-21H2,1H3;3,5,7-9,11,14,16,19-20,23,28,30-31H,4,6,10,12-13,15,17H2,1-2H3;1-5H3/b15-13-,30-28+;10-8-,25-23+;4-2-,19-18+;5-3-,16-14+,27-22-;/t35-,36-,39-,40+,44+;30-,31-,34-,35+,38+;25-,26-,29+,30-;19-,20-,23+,25+;/m1111./s1.
What are the key properties of tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate?
tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate has a molecular weight of 2833.34 g/mol, XLogP of 36.12, 60 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(trifluoromethylsulfonyl)silane;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-fluorophenyl)-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3-[(2-bromophenyl)methoxy]-2-[(E)-5-(2-fluorophenyl)-3-oxopent-1-enyl]-5-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3Z,5S)-2-[(E,3S)-5-(2-fluorophenyl)-3-hydroxy-3-methylpent-1-enyl]-5-hydroxy-3-hydroxyiminocyclopentyl]hept-5-enoate is sourced from PubChem (CID 172967127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).