1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate

C169H292Br2Cl2N2O17S2Si10 — CID 159069164

IUPAC1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate
SMILESC=CCC1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.C=CCC1[C@@H](c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O.C=CCC1[C@H](Cl)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)C1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc([C@@H]2C(CCCc3ncc(C(=O)OCC)s3)[C@H](Cl)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.CCOC(=O)c1cnc(Br)s1
InChIInChI=1S/C38H64ClNO4SSi2.C32H57ClO2Si2.C32H58O3Si2.C32H56O3Si2.C18H31BrOSi.C11H20O2Si.C6H6BrNO2S/c1-13-15-16-19-31(43-46(9,10)37(3,4)5)27-21-23-28(24-22-27)35-29(30(39)25-32(35)44-47(11,12)38(6,7)8)18-17-20-34-40-26-33(45-34)36(41)42-14-2;3*1-13-15-16-18-28(34-36(9,10)31(3,4)5)24-19-21-25(22-20-24)30-26(17-14-2)27(33)23-29(30)35-37(11,12)32(6,7)8;1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;1-2-10-5(9)4-3-8-6(7)11-4/h21-24,26,29-32,35H,13-20,25H2,1-12H3;14,19-22,26-30H,2,13,15-18,23H2,1,3-12H3;14,19-22,26-30,33H,2,13,15-18,23H2,1,3-12H3;14,19-22,26,28-30H,2,13,15-18,23H2,1,3-12H3;11-14,17H,7-10H2,1-6H3;6-7,10H,8H2,1-5H3;3H,2H2,1H3/t29?,30-,31?,32-,35-;26?,27-,28?,29-,30-;26?,27-,28?,29+,30+;26?,28?,29-,30-;;10-;/m1101.0./s1
InChIKeyJZKVJYLDJHTOJC-KCHHHLTISA-N
MW3199.90 g/mol
LogP54.90
Rot. Bonds63

About 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate

1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate (PubChem CID 159069164) has the molecular formula C169H292Br2Cl2N2O17S2Si10 and a molecular weight of 3199.90 g/mol. Its IUPAC name is 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate
PubChem CID159069164
Molecular FormulaC169H292Br2Cl2N2O17S2Si10
Molecular Weight3199.90 g/mol
Exact Mass3193.69
IUPAC Name1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate
SMILESC=CCC1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.C=CCC1[C@@H](c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O.C=CCC1[C@H](Cl)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)C1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc([C@@H]2C(CCCc3ncc(C(=O)OCC)s3)[C@H](Cl)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.CCOC(=O)c1cnc(Br)s1
InChIInChI=1S/C38H64ClNO4SSi2.C32H57ClO2Si2.C32H58O3Si2.C32H56O3Si2.C18H31BrOSi.C11H20O2Si.C6H6BrNO2S/c1-13-15-16-19-31(43-46(9,10)37(3,4)5)27-21-23-28(24-22-27)35-29(30(39)25-32(35)44-47(11,12)38(6,7)8)18-17-20-34-40-26-33(45-34)36(41)42-14-2;3*1-13-15-16-18-28(34-36(9,10)31(3,4)5)24-19-21-25(22-20-24)30-26(17-14-2)27(33)23-29(30)35-37(11,12)32(6,7)8;1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;1-2-10-5(9)4-3-8-6(7)11-4/h21-24,26,29-32,35H,13-20,25H2,1-12H3;14,19-22,26-30H,2,13,15-18,23H2,1,3-12H3;14,19-22,26-30,33H,2,13,15-18,23H2,1,3-12H3;14,19-22,26,28-30H,2,13,15-18,23H2,1,3-12H3;11-14,17H,7-10H2,1-6H3;6-7,10H,8H2,1-5H3;3H,2H2,1H3/t29?,30-,31?,32-,35-;26?,27-,28?,29-,30-;26?,27-,28?,29+,30+;26?,28?,29-,30-;;10-;/m1101.0./s1
InChIKeyJZKVJYLDJHTOJC-KCHHHLTISA-N
XLogP54.90
TPSA225.05 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds63
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003199.90
LogP ≤ 554.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

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'}

Analyze 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate 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

1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(2R,3R,5R)-3-chloro-5-methyl-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,2R,4R)-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-4-methyl-2-prop-2-enylcyclopentan-1-ol;trans-(2R,4R)-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-4-methyl-2-prop-2-enylcyclopentan-1-one
CID 91196055
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one
CID 146031623
methyl 3-[3-[[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]methyl]phenyl]propanoate
CID 146027801
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
methyl (Z)-7-[(1R,2S,3R,5S)-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-hydroxy-3-methylcyclopentyl]hept-5-enoate
CID 58260079
4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxynon-1-enyl]-2-prop-2-enylcyclopentan-1-one
CID 70506808
ethyl (2R)-1-[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-oxopyrrolidine-2-carboxylate
CID 86711700
7-[2-[4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-oxocyclopentyl]heptanoic acid
CID 68953229
7-[2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-oxocyclopentyl]heptanoic acid
CID 68952094
methyl 5-[3-[(1R,2S,3R,5S)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]propyl]thiophene-2-carboxylate
CID 68585208
5-[3-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]propyl]thiophene-2-carboxylate
CID 158763321
[(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate (CID 159069164) is 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate is C=CCC1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.C=CCC1[C@@H](c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O.C=CCC1[C@H](Cl)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)C1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc([C@@H]2C(CCCc3ncc(C(=O)OCC)s3)[C@H](Cl)C[C@H]2O[Si](C)(C)C(C)(C)C)cc1.CCOC(=O)c1cnc(Br)s1.
What is the InChIKey of 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate?
The InChIKey is JZKVJYLDJHTOJC-KCHHHLTISA-N. The full InChI is InChI=1S/C38H64ClNO4SSi2.C32H57ClO2Si2.C32H58O3Si2.C32H56O3Si2.C18H31BrOSi.C11H20O2Si.C6H6BrNO2S/c1-13-15-16-19-31(43-46(9,10)37(3,4)5)27-21-23-28(24-22-27)35-29(30(39)25-32(35)44-47(11,12)38(6,7)8)18-17-20-34-40-26-33(45-34)36(41)42-14-2;3*1-13-15-16-18-28(34-36(9,10)31(3,4)5)24-19-21-25(22-20-24)30-26(17-14-2)27(33)23-29(30)35-37(11,12)32(6,7)8;1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10;1-2-10-5(9)4-3-8-6(7)11-4/h21-24,26,29-32,35H,13-20,25H2,1-12H3;14,19-22,26-30H,2,13,15-18,23H2,1,3-12H3;14,19-22,26-30,33H,2,13,15-18,23H2,1,3-12H3;14,19-22,26,28-30H,2,13,15-18,23H2,1,3-12H3;11-14,17H,7-10H2,1-6H3;6-7,10H,8H2,1-5H3;3H,2H2,1H3/t29?,30-,31?,32-,35-;26?,27-,28?,29-,30-;26?,27-,28?,29+,30+;26?,28?,29-,30-;;10-;/m1101.0./s1.
What are the key properties of 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate?
1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate has a molecular weight of 3199.90 g/mol, XLogP of 54.90, 63 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)hexoxy-tert-butyl-dimethylsilane;tert-butyl-[1-[4-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylcyclopentyl]phenyl]hexoxy]-dimethylsilane;(1S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-ol;(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;cis-(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one;ethyl 2-bromo-1,3-thiazole-5-carboxylate;ethyl 2-[3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-chlorocyclopentyl]propyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 159069164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).