[(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate

C144H208Cl5NO26Si2 — CID 158781325

IUPAC[(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate
SMILESCCCCCC(O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)O)[C@H](Cl)C[C@@H]2O)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]2O)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.COC(=O)CCC/C=C\CC1[C@H](Cl)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C=O)cc1
InChIInChI=1S/C34H42ClNO8.C33H53ClO5Si.C27H39ClO5.C26H39ClO4Si.C24H35ClO4/c1-4-5-8-12-30(43-23(2)37)24-14-16-25(17-15-24)33-28(11-9-6-7-10-13-32(38)42-3)29(35)22-31(33)44-34(39)26-18-20-27(21-19-26)36(40)41;1-9-10-13-17-29(38-24(2)35)25-19-21-26(22-20-25)32-27(16-14-11-12-15-18-31(36)37-6)28(34)23-30(32)39-40(7,8)33(3,4)5;1-4-5-8-12-25(33-19(2)29)20-14-16-21(17-15-20)27-22(23(28)18-24(27)30)11-9-6-7-10-13-26(31)32-3;1-26(2,3)32(5,6)31-23-17-22(27)21(11-9-7-8-10-12-24(29)30-4)25(23)20-15-13-19(18-28)14-16-20;1-2-3-6-10-21(26)17-12-14-18(15-13-17)24-19(20(25)16-22(24)27)9-7-4-5-8-11-23(28)29/h6,9,14-21,28-31,33H,4-5,7-8,10-13,22H2,1-3H3;11,14,19-22,27-30,32H,9-10,12-13,15-18,23H2,1-8H3;6,9,14-17,22-25,27,30H,4-5,7-8,10-13,18H2,1-3H3;7,9,13-16,18,21-23,25H,8,10-12,17H2,1-6H3;4,7,12-15,19-22,24,26-27H,2-3,5-6,8-11,16H2,1H3,(H,28,29)/b9-6-;14-11-;9-6-;9-7-;7-4-/t28?,29-,30?,31+,33-;27?,28-,29?,30-,32-;22?,23-,24-,25?,27-;21?,22-,23-,25-;19?,20-,21?,22+,24-/m11111/s1
InChIKeyIRCQJFOWIZVQOG-SUWHIZDMSA-N
MW2602.67 g/mol
LogP35.96
Rot. Bonds66

About [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate

[(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate (PubChem CID 158781325) has the molecular formula C144H208Cl5NO26Si2 and a molecular weight of 2602.67 g/mol. Its IUPAC name is [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate.

Molecular Properties

Compound Name[(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate
PubChem CID158781325
Molecular FormulaC144H208Cl5NO26Si2
Molecular Weight2602.67 g/mol
Exact Mass2598.30
IUPAC Name[(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate
SMILESCCCCCC(O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)O)[C@H](Cl)C[C@@H]2O)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]2O)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.COC(=O)CCC/C=C\CC1[C@H](Cl)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C=O)cc1
InChIInChI=1S/C34H42ClNO8.C33H53ClO5Si.C27H39ClO5.C26H39ClO4Si.C24H35ClO4/c1-4-5-8-12-30(43-23(2)37)24-14-16-25(17-15-24)33-28(11-9-6-7-10-13-32(38)42-3)29(35)22-31(33)44-34(39)26-18-20-27(21-19-26)36(40)41;1-9-10-13-17-29(38-24(2)35)25-19-21-26(22-20-25)32-27(16-14-11-12-15-18-31(36)37-6)28(34)23-30(32)39-40(7,8)33(3,4)5;1-4-5-8-12-25(33-19(2)29)20-14-16-21(17-15-20)27-22(23(28)18-24(27)30)11-9-6-7-10-13-26(31)32-3;1-26(2,3)32(5,6)31-23-17-22(27)21(11-9-7-8-10-12-24(29)30-4)25(23)20-15-13-19(18-28)14-16-20;1-2-3-6-10-21(26)17-12-14-18(15-13-17)24-19(20(25)16-22(24)27)9-7-4-5-8-11-23(28)29/h6,9,14-21,28-31,33H,4-5,7-8,10-13,22H2,1-3H3;11,14,19-22,27-30,32H,9-10,12-13,15-18,23H2,1-8H3;6,9,14-17,22-25,27,30H,4-5,7-8,10-13,18H2,1-3H3;7,9,13-16,18,21-23,25H,8,10-12,17H2,1-6H3;4,7,12-15,19-22,24,26-27H,2-3,5-6,8-11,16H2,1H3,(H,28,29)/b9-6-;14-11-;9-6-;9-7-;7-4-/t28?,29-,30?,31+,33-;27?,28-,29?,30-,32-;22?,23-,24-,25?,27-;21?,22-,23-,25-;19?,20-,21?,22+,24-/m11111/s1
InChIKeyIRCQJFOWIZVQOG-SUWHIZDMSA-N
XLogP35.96
TPSA387.06 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds66
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002602.67
LogP ≤ 535.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 7-[(1R,2S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoate
CID 90951108
methyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyheptyl)phenyl]cyclopentyl]hept-5-enoate
CID 68862433
methyl 7-[(1R,2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3,5-dichlorocyclopentyl]hept-5-enoate
CID 68837167
(Z)-7-[(2S,3R,5R)-5-chloro-2-(4-hexylphenyl)-3-hydroxycyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-5-chloro-2-(4-hexylphenyl)-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoate
CID 158331537
(Z)-7-[(1R,2S,3S,5S)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid
CID 68585316
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
CID 67018007
(Z)-7-[(1R,2S,3R,5S)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
CID 67018005
methyl (Z)-7-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-fluorocyclopentyl]hept-5-enoate
CID 146027800
propan-2-yl 7-[(1R,2S,3R,5S)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoate
CID 67018024
methyl 7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxy-5,5-dimethylhexyl)phenyl]cyclopentyl]hept-5-enoate
CID 68865554
methyl 7-[(1R,2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-[4-(2-methyl-1-oxopropan-2-yl)phenyl]cyclopentyl]hept-5-enoate
CID 91222746
methyl 7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-[4-(2-methyl-1-oxopropan-2-yl)phenyl]cyclopentyl]hept-5-enoate
CID 90971812

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate?
The IUPAC name of [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate (CID 158781325) is [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate.
What is the SMILES notation for [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate?
The canonical SMILES for [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate is CCCCCC(O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)O)[C@H](Cl)C[C@@H]2O)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]2O)cc1.CCCCCC(OC(C)=O)c1ccc([C@@H]2C(C/C=C\CCCC(=O)OC)[C@H](Cl)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.COC(=O)CCC/C=C\CC1[C@H](Cl)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C=O)cc1.
What is the InChIKey of [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate?
The InChIKey is IRCQJFOWIZVQOG-SUWHIZDMSA-N. The full InChI is InChI=1S/C34H42ClNO8.C33H53ClO5Si.C27H39ClO5.C26H39ClO4Si.C24H35ClO4/c1-4-5-8-12-30(43-23(2)37)24-14-16-25(17-15-24)33-28(11-9-6-7-10-13-32(38)42-3)29(35)22-31(33)44-34(39)26-18-20-27(21-19-26)36(40)41;1-9-10-13-17-29(38-24(2)35)25-19-21-26(22-20-25)32-27(16-14-11-12-15-18-31(36)37-6)28(34)23-30(32)39-40(7,8)33(3,4)5;1-4-5-8-12-25(33-19(2)29)20-14-16-21(17-15-20)27-22(23(28)18-24(27)30)11-9-6-7-10-13-26(31)32-3;1-26(2,3)32(5,6)31-23-17-22(27)21(11-9-7-8-10-12-24(29)30-4)25(23)20-15-13-19(18-28)14-16-20;1-2-3-6-10-21(26)17-12-14-18(15-13-17)24-19(20(25)16-22(24)27)9-7-4-5-8-11-23(28)29/h6,9,14-21,28-31,33H,4-5,7-8,10-13,22H2,1-3H3;11,14,19-22,27-30,32H,9-10,12-13,15-18,23H2,1-8H3;6,9,14-17,22-25,27,30H,4-5,7-8,10-13,18H2,1-3H3;7,9,13-16,18,21-23,25H,8,10-12,17H2,1-6H3;4,7,12-15,19-22,24,26-27H,2-3,5-6,8-11,16H2,1H3,(H,28,29)/b9-6-;14-11-;9-6-;9-7-;7-4-/t28?,29-,30?,31+,33-;27?,28-,29?,30-,32-;22?,23-,24-,25?,27-;21?,22-,23-,25-;19?,20-,21?,22+,24-/m11111/s1.
What are the key properties of [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate?
[(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate has a molecular weight of 2602.67 g/mol, XLogP of 35.96, 66 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-[4-(1-acetyloxyhexyl)phenyl]-4-chloro-3-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] 4-nitrobenzoate;(Z)-7-[(2S,3S,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]hept-5-enoic acid;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-chlorocyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoate;methyl (Z)-7-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-(4-formylphenyl)cyclopentyl]hept-5-enoate is sourced from PubChem (CID 158781325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).