potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate

C88H133BrF4KO10PSi4 — CID 158592022

IUPACpotassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate
SMILESCC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(CC[C@H](CCc2cc(F)cc(F)c2)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCBr.CC(C)(C)[Si](C)(C)OC(CCc1cc(F)cc(F)c1)CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC2OC(O)C[C@@H]21.O=C([O-])CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C36H61BrF2O4Si2.C30H52F2O4Si2.C22H21O2P.K/c1-26(40)41-33-25-34(43-45(10,11)36(5,6)7)32(31(33)16-14-12-13-15-21-37)20-19-30(42-44(8,9)35(2,3)4)18-17-27-22-28(38)24-29(39)23-27;1-29(2,3)37(7,8)35-23(12-11-20-15-21(31)17-22(32)16-20)13-14-24-25-18-28(33)34-26(25)19-27(24)36-38(9,10)30(4,5)6;23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h12,14,22-24,30-34H,13,15-21,25H2,1-11H3;15-17,23-28,33H,11-14,18-19H2,1-10H3;1-9,11-16,18H,10,17H2,(H,23,24);/q;;;+1/p-1/b14-12-;;;/t30-,31+,32?,33-,34+;23?,24-,25-,26?,27-,28?;;/m01../s1
InChIKeyHUOHJPXJMNRTSV-KAGSRYKASA-M
MW1689.33 g/mol
LogP18.67
Rot. Bonds32

About potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate

potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate (PubChem CID 158592022) has the molecular formula C88H133BrF4KO10PSi4 and a molecular weight of 1689.33 g/mol. Its IUPAC name is potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate.

Molecular Properties

Compound Namepotassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate
PubChem CID158592022
Molecular FormulaC88H133BrF4KO10PSi4
Molecular Weight1689.33 g/mol
Exact Mass1686.75
IUPAC Namepotassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate
SMILESCC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(CC[C@H](CCc2cc(F)cc(F)c2)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCBr.CC(C)(C)[Si](C)(C)OC(CCc1cc(F)cc(F)c1)CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC2OC(O)C[C@@H]21.O=C([O-])CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C36H61BrF2O4Si2.C30H52F2O4Si2.C22H21O2P.K/c1-26(40)41-33-25-34(43-45(10,11)36(5,6)7)32(31(33)16-14-12-13-15-21-37)20-19-30(42-44(8,9)35(2,3)4)18-17-27-22-28(38)24-29(39)23-27;1-29(2,3)37(7,8)35-23(12-11-20-15-21(31)17-22(32)16-20)13-14-24-25-18-28(33)34-26(25)19-27(24)36-38(9,10)30(4,5)6;23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h12,14,22-24,30-34H,13,15-21,25H2,1-11H3;15-17,23-28,33H,11-14,18-19H2,1-10H3;1-9,11-16,18H,10,17H2,(H,23,24);/q;;;+1/p-1/b14-12-;;;/t30-,31+,32?,33-,34+;23?,24-,25-,26?,27-,28?;;/m01../s1
InChIKeyHUOHJPXJMNRTSV-KAGSRYKASA-M
XLogP18.67
TPSA132.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001689.33
LogP ≤ 518.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate with MolForge

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Related Compounds

[(1S,2R,3R,4R)-2-(6-bromohex-2-enyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[3-(methoxymethyl)phenyl]pent-1-enyl]cyclopentyl] acetate
CID 91013030
propan-2-yl (E)-7-[(1R,2R,3R,5S)-2-[(3R)-5-phenyl-3-triethylsilyloxypentyl]-3,5-bis(triethylsilyloxy)cyclopentyl]hept-5-enoate
CID 171042383
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-5-phenyl-3-triethylsilyloxypentyl]-5-triethylsilyloxy-3-trimethylsilyloxycyclopentyl]hept-5-enoate
CID 23649139
methyl (Z)-7-[(1R,2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 140538305
[(1S,2R,3R,4S)-2-[(Z)-6-bromohex-2-enyl]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2,3-dihydro-1H-inden-2-yl)prop-1-enyl]-4-fluorocyclopentyl] acetate
CID 58715002
triethyl-[(3R)-1-[(1R,2R,3S,5R)-2-[6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hex-2-enyl]-3,5-bis(triethylsilyloxy)cyclopentyl]-5-phenylpentan-3-yl]oxysilane
CID 67269154
[2-(hydroxymethyl)-2-methylbutyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-5-phenyl-3-triethylsilyloxypentyl]-3,5-bis(triethylsilyloxy)cyclopentyl]hept-5-enoate;triethyl-[(3R)-1-[(1R,2R,3S,5R)-2-[(Z)-6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hex-2-enyl]-3,5-bis(triethylsilyloxy)cyclopentyl]-5-phenylpentan-3-yl]oxysilane
CID 159778370
potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 160833613
potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxydecyl)-3,5-dihydroxycyclopentyl]hept-5-enoate;6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 159571186
(E)-7-[(1R,2R,3R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-hydroxy-5-phenylmethoxycyclopentyl]hept-3-enoic acid
CID 67758851
(3-chloro-3-oxopropyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;[3-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-3-oxopropyl] (Z)-7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;[3-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-3-oxopropyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 159729740
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate;triethyl-[(3R)-1-[(1R,2R,3S,5R)-2-[(Z)-6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)hex-2-enyl]-3,5-bis(triethylsilyloxy)cyclopentyl]-5-phenylpentan-3-yl]oxysilane
CID 160928869

Frequently Asked Questions

What is the IUPAC name of potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate?
The IUPAC name of potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate (CID 158592022) is potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate.
What is the SMILES notation for potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate?
The canonical SMILES for potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate is CC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C(CC[C@H](CCc2cc(F)cc(F)c2)O[Si](C)(C)C(C)(C)C)[C@H]1C/C=C\CCCBr.CC(C)(C)[Si](C)(C)OC(CCc1cc(F)cc(F)c1)CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC2OC(O)C[C@@H]21.O=C([O-])CCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate?
The InChIKey is HUOHJPXJMNRTSV-KAGSRYKASA-M. The full InChI is InChI=1S/C36H61BrF2O4Si2.C30H52F2O4Si2.C22H21O2P.K/c1-26(40)41-33-25-34(43-45(10,11)36(5,6)7)32(31(33)16-14-12-13-15-21-37)20-19-30(42-44(8,9)35(2,3)4)18-17-27-22-28(38)24-29(39)23-27;1-29(2,3)37(7,8)35-23(12-11-20-15-21(31)17-22(32)16-20)13-14-24-25-18-28(33)34-26(25)19-27(24)36-38(9,10)30(4,5)6;23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h12,14,22-24,30-34H,13,15-21,25H2,1-11H3;15-17,23-28,33H,11-14,18-19H2,1-10H3;1-9,11-16,18H,10,17H2,(H,23,24);/q;;;+1/p-1/b14-12-;;;/t30-,31+,32?,33-,34+;23?,24-,25-,26?,27-,28?;;/m01../s1.
What are the key properties of potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate?
potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate has a molecular weight of 1689.33 g/mol, XLogP of 18.67, 32 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(3aR,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;[(1S,2R,4R)-2-[(Z)-6-bromohex-2-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(3,5-difluorophenyl)pentyl]cyclopentyl] acetate;4-(triphenyl-λ5-phosphanylidene)butanoate is sourced from PubChem (CID 158592022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).