dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate

C198H276Cl10F4O41S8Si3 — CID 159885423

IUPACdichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2CO)s1.COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2CO[Si](C)(C)C(C)(C)C)s1.COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2COc2cc(Cl)cc(Cl)c2)s1.COC(=O)c1ccc(CCCC2[C@H](F)C[C@@H](O)[C@@H]2COc2cc(Cl)cc(Cl)c2)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO)[C@H](OC3CCCCO3)C[C@H]2F)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@@H]2O)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@H]2F)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](COc3cc(Cl)cc(Cl)c3)[C@H](OC3CCCCO3)C[C@H]2F)s1.ClCCl.Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H31Cl2FO5S.C26H30Cl2O5S.C26H43FO5SSi.C26H44O6SSi.C26H42O5SSi.C21H23Cl2FO4S.C20H29FO5S.C20H28O5S.C6H4Cl2O.CH2Cl2/c1-31-26(30)24-9-8-19(35-24)5-4-6-20-21(15-33-18-12-16(27)11-17(28)13-18)23(14-22(20)29)34-25-7-2-3-10-32-25;1-30-26(29)24-11-9-21(34-24)6-4-5-17-8-10-23(33-25-7-2-3-12-31-25)22(17)16-32-20-14-18(27)13-19(28)15-20;2*1-26(2,3)34(5,6)31-17-20-19(11-9-10-18-13-14-23(33-18)25(28)29-4)21(27)16-22(20)32-24-12-7-8-15-30-24;1-26(2,3)33(5,6)30-18-21-19(13-15-22(21)31-24-12-7-8-17-29-24)10-9-11-20-14-16-23(32-20)25(27)28-4;1-27-21(26)20-6-5-15(29-20)3-2-4-16-17(19(25)10-18(16)24)11-28-14-8-12(22)7-13(23)9-14;1-24-20(23)18-9-8-13(27-18)5-4-6-14-15(12-22)17(11-16(14)21)26-19-7-2-3-10-25-19;1-23-20(22)18-11-9-15(26-18)6-4-5-14-8-10-17(16(14)13-21)25-19-7-2-3-12-24-19;7-4-1-5(8)3-6(9)2-4;2-1-3/h8-9,11-13,20-23,25H,2-7,10,14-15H2,1H3;8-9,11,13-15,22-23,25H,2-7,10,12,16H2,1H3;13-14,19-22,24H,7-12,15-17H2,1-6H3;13-14,19-22,24,27H,7-12,15-17H2,1-6H3;13-14,16,21-22,24H,7-12,15,17-18H2,1-6H3;5-9,16-19,25H,2-4,10-11H2,1H3;8-9,14-17,19,22H,2-7,10-12H2,1H3;8-9,11,16-17,19,21H,2-7,10,12-13H2,1H3;1-3,9H;1H2/t20-,21-,22-,23-,25?;22-,23-,25?;19-,20-,21-,22-,24?;19-,20-,21+,22-,24?;21-,22-,24?;16?,17-,18-,19-;14-,15-,16-,17-,19?;16-,17-,19?;;/m11111111../s1
InChIKeyNUBPUFYNNNCZNW-CDRFSCDHSA-N
MW4083.66 g/mol
LogP50.66
Rot. Bonds74

About dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate

dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate (PubChem CID 159885423) has the molecular formula C198H276Cl10F4O41S8Si3 and a molecular weight of 4083.66 g/mol. Its IUPAC name is dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namedichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate
PubChem CID159885423
Molecular FormulaC198H276Cl10F4O41S8Si3
Molecular Weight4083.66 g/mol
Exact Mass4075.34
IUPAC Namedichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2CO)s1.COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2CO[Si](C)(C)C(C)(C)C)s1.COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2COc2cc(Cl)cc(Cl)c2)s1.COC(=O)c1ccc(CCCC2[C@H](F)C[C@@H](O)[C@@H]2COc2cc(Cl)cc(Cl)c2)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO)[C@H](OC3CCCCO3)C[C@H]2F)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@@H]2O)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@H]2F)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](COc3cc(Cl)cc(Cl)c3)[C@H](OC3CCCCO3)C[C@H]2F)s1.ClCCl.Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H31Cl2FO5S.C26H30Cl2O5S.C26H43FO5SSi.C26H44O6SSi.C26H42O5SSi.C21H23Cl2FO4S.C20H29FO5S.C20H28O5S.C6H4Cl2O.CH2Cl2/c1-31-26(30)24-9-8-19(35-24)5-4-6-20-21(15-33-18-12-16(27)11-17(28)13-18)23(14-22(20)29)34-25-7-2-3-10-32-25;1-30-26(29)24-11-9-21(34-24)6-4-5-17-8-10-23(33-25-7-2-3-12-31-25)22(17)16-32-20-14-18(27)13-19(28)15-20;2*1-26(2,3)34(5,6)31-17-20-19(11-9-10-18-13-14-23(33-18)25(28)29-4)21(27)16-22(20)32-24-12-7-8-15-30-24;1-26(2,3)33(5,6)30-18-21-19(13-15-22(21)31-24-12-7-8-17-29-24)10-9-11-20-14-16-23(32-20)25(27)28-4;1-27-21(26)20-6-5-15(29-20)3-2-4-16-17(19(25)10-18(16)24)11-28-14-8-12(22)7-13(23)9-14;1-24-20(23)18-9-8-13(27-18)5-4-6-14-15(12-22)17(11-16(14)21)26-19-7-2-3-10-25-19;1-23-20(22)18-11-9-15(26-18)6-4-5-14-8-10-17(16(14)13-21)25-19-7-2-3-12-24-19;7-4-1-5(8)3-6(9)2-4;2-1-3/h8-9,11-13,20-23,25H,2-7,10,14-15H2,1H3;8-9,11,13-15,22-23,25H,2-7,10,12,16H2,1H3;13-14,19-22,24H,7-12,15-17H2,1-6H3;13-14,19-22,24,27H,7-12,15-17H2,1-6H3;13-14,16,21-22,24H,7-12,15,17-18H2,1-6H3;5-9,16-19,25H,2-4,10-11H2,1H3;8-9,14-17,19,22H,2-7,10-12H2,1H3;8-9,11,16-17,19,21H,2-7,10,12-13H2,1H3;1-3,9H;1H2/t20-,21-,22-,23-,25?;22-,23-,25?;19-,20-,21-,22-,24?;19-,20-,21+,22-,24?;21-,22-,24?;16?,17-,18-,19-;14-,15-,16-,17-,19?;16-,17-,19?;;/m11111111../s1
InChIKeyNUBPUFYNNNCZNW-CDRFSCDHSA-N
XLogP50.66
TPSA496.15 Ų
H-Bond Donors5
H-Bond Acceptors49
Rotatable Bonds74
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004083.66
LogP ≤ 550.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1049

Analyze dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[3-[(1R,2S,3R,5S)-2-[[3-(acetyloxymethyl)-5-chlorophenoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
CID 59468157
methyl 5-[3-[(1R,2S,3S,5R)-5-chloro-2-(methylsulfonyloxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 146027088
methyl 5-[3-[(1R,2S,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluorocyclopentyl]propyl]thiophene-2-carboxylate
CID 138485312
dichloromethane;methyl 5-[3-[(2S,3R,5R)-5-chloro-2-[(3-chloro-5-ethylphenoxy)methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
CID 123734924
methyl 5-[3-[(1R,3R)-5-chloro-2-[(E)-3-hydroxyoct-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 89187627
methyl 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7S)-3-hydroxy-9-[hydroxy(dimethyl)silyl]-7,9-dimethyldec-1-enyl]-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
CID 67478641
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate
CID 143884275
methyl 7-[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 91340586
5-[3-[(1S,2S,3R,5R)-5-cyano-2-[(3,5-dichlorophenoxy)methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
CID 24969104
propan-2-yl 5-[3-[5-chloro-2-[[3-chloro-5-(hydroxymethyl)phenoxy]methyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
CID 72536497
5-[3-[(1R,2S,3R,5R)-2-[[3-(acetyloxymethyl)-5-chlorophenoxy]methyl]-5-chloro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
CID 89030769
4-[(1R,2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]butan-1-ol
CID 14410088

Frequently Asked Questions

What is the IUPAC name of dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate?
The IUPAC name of dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate (CID 159885423) is dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate.
What is the SMILES notation for dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate?
The canonical SMILES for dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate is COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2CO)s1.COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2CO[Si](C)(C)C(C)(C)C)s1.COC(=O)c1ccc(CCCC2=CC[C@@H](OC3CCCCO3)[C@@H]2COc2cc(Cl)cc(Cl)c2)s1.COC(=O)c1ccc(CCCC2[C@H](F)C[C@@H](O)[C@@H]2COc2cc(Cl)cc(Cl)c2)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO)[C@H](OC3CCCCO3)C[C@H]2F)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@@H]2O)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC3CCCCO3)C[C@H]2F)s1.COC(=O)c1ccc(CCC[C@@H]2[C@@H](COc3cc(Cl)cc(Cl)c3)[C@H](OC3CCCCO3)C[C@H]2F)s1.ClCCl.Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate?
The InChIKey is NUBPUFYNNNCZNW-CDRFSCDHSA-N. The full InChI is InChI=1S/C26H31Cl2FO5S.C26H30Cl2O5S.C26H43FO5SSi.C26H44O6SSi.C26H42O5SSi.C21H23Cl2FO4S.C20H29FO5S.C20H28O5S.C6H4Cl2O.CH2Cl2/c1-31-26(30)24-9-8-19(35-24)5-4-6-20-21(15-33-18-12-16(27)11-17(28)13-18)23(14-22(20)29)34-25-7-2-3-10-32-25;1-30-26(29)24-11-9-21(34-24)6-4-5-17-8-10-23(33-25-7-2-3-12-31-25)22(17)16-32-20-14-18(27)13-19(28)15-20;2*1-26(2,3)34(5,6)31-17-20-19(11-9-10-18-13-14-23(33-18)25(28)29-4)21(27)16-22(20)32-24-12-7-8-15-30-24;1-26(2,3)33(5,6)30-18-21-19(13-15-22(21)31-24-12-7-8-17-29-24)10-9-11-20-14-16-23(32-20)25(27)28-4;1-27-21(26)20-6-5-15(29-20)3-2-4-16-17(19(25)10-18(16)24)11-28-14-8-12(22)7-13(23)9-14;1-24-20(23)18-9-8-13(27-18)5-4-6-14-15(12-22)17(11-16(14)21)26-19-7-2-3-10-25-19;1-23-20(22)18-11-9-15(26-18)6-4-5-14-8-10-17(16(14)13-21)25-19-7-2-3-12-24-19;7-4-1-5(8)3-6(9)2-4;2-1-3/h8-9,11-13,20-23,25H,2-7,10,14-15H2,1H3;8-9,11,13-15,22-23,25H,2-7,10,12,16H2,1H3;13-14,19-22,24H,7-12,15-17H2,1-6H3;13-14,19-22,24,27H,7-12,15-17H2,1-6H3;13-14,16,21-22,24H,7-12,15,17-18H2,1-6H3;5-9,16-19,25H,2-4,10-11H2,1H3;8-9,14-17,19,22H,2-7,10-12H2,1H3;8-9,11,16-17,19,21H,2-7,10,12-13H2,1H3;1-3,9H;1H2/t20-,21-,22-,23-,25?;22-,23-,25?;19-,20-,21-,22-,24?;19-,20-,21+,22-,24?;21-,22-,24?;16?,17-,18-,19-;14-,15-,16-,17-,19?;16-,17-,19?;;/m11111111../s1.
What are the key properties of dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate?
dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate has a molecular weight of 4083.66 g/mol, XLogP of 50.66, 74 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;3,5-dichlorophenol;methyl 5-[3-[(1R,2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-2-[(3,5-dichlorophenoxy)methyl]-5-fluoro-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-[(3,5-dichlorophenoxy)methyl]-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(1R,2S,3R,5R)-5-fluoro-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate;methyl 5-[3-[(4R,5S)-5-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopenten-1-yl]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 159885423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).