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

C99H166BrClO6Si4 — CID 91196055

IUPAC1-(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
SMILESC=CC[C@@H]1C(c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](C)C[C@@H]1O.C=CC[C@@H]1C(c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](C)C[C@H]1Cl.C=CC[C@H]1C(=O)C[C@@H](C)C1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C27H45ClOSi.C27H46O2Si.C27H44O2Si.C18H31BrOSi/c3*1-9-11-12-14-25(29-30(7,8)27(4,5)6)21-15-17-22(18-16-21)26-20(3)19-24(28)23(26)13-10-2;1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4/h10,15-18,20,23-26H,2,9,11-14,19H2,1,3-8H3;10,15-18,20,23-26,28H,2,9,11-14,19H2,1,3-8H3;10,15-18,20,23,25-26H,2,9,11-14,19H2,1,3-8H3;11-14,17H,7-10H2,1-6H3/t20-,23+,24-,25?,26?;20-,23+,24+,25?,26?;20-,23+,25?,26?;/m111./s1
InChIKeyBEVJHQADVZNIPA-RMVJLJJESA-N
MW1680.11 g/mol
LogP32.57
Rot. Bonds37

About 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

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 (PubChem CID 91196055) has the molecular formula C99H166BrClO6Si4 and a molecular weight of 1680.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID91196055
Molecular FormulaC99H166BrClO6Si4
Molecular Weight1680.11 g/mol
Exact Mass1677.06
IUPAC Name1-(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
SMILESC=CC[C@@H]1C(c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](C)C[C@@H]1O.C=CC[C@@H]1C(c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](C)C[C@H]1Cl.C=CC[C@H]1C(=O)C[C@@H](C)C1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C27H45ClOSi.C27H46O2Si.C27H44O2Si.C18H31BrOSi/c3*1-9-11-12-14-25(29-30(7,8)27(4,5)6)21-15-17-22(18-16-21)26-20(3)19-24(28)23(26)13-10-2;1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4/h10,15-18,20,23-26H,2,9,11-14,19H2,1,3-8H3;10,15-18,20,23-26,28H,2,9,11-14,19H2,1,3-8H3;10,15-18,20,23,25-26H,2,9,11-14,19H2,1,3-8H3;11-14,17H,7-10H2,1-6H3/t20-,23+,24-,25?,26?;20-,23+,24+,25?,26?;20-,23+,25?,26?;/m111./s1
InChIKeyBEVJHQADVZNIPA-RMVJLJJESA-N
XLogP32.57
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds37
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001680.11
LogP ≤ 532.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(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 with MolForge

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Related Compounds

(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
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
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
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
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 (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
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
methyl (Z)-7-[(2S)-1-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-3-oxopyrrolidin-2-yl]hept-5-enoate
CID 71154768
ethyl (2R)-1-[4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-5-oxopyrrolidine-2-carboxylate
CID 86711700
methyl 7-[(1R,2S,3R,5R)-2-[4-(1-acetyloxyhexyl)phenyl]-3,5-dichlorocyclopentyl]hept-5-enoate
CID 68837167
7-[(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-[(1R)-1-hydroxyhexyl]phenyl]cyclopentyl]hept-5-enoic acid
CID 67018007

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@@H]1C(c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](C)C[C@@H]1O.C=CC[C@@H]1C(c2ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc2)[C@H](C)C[C@H]1Cl.C=CC[C@H]1C(=O)C[C@@H](C)C1c1ccc(C(CCCCC)O[Si](C)(C)C(C)(C)C)cc1.CCCCCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 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?
The InChIKey is BEVJHQADVZNIPA-RMVJLJJESA-N. The full InChI is InChI=1S/C27H45ClOSi.C27H46O2Si.C27H44O2Si.C18H31BrOSi/c3*1-9-11-12-14-25(29-30(7,8)27(4,5)6)21-15-17-22(18-16-21)26-20(3)19-24(28)23(26)13-10-2;1-7-8-9-10-17(15-11-13-16(19)14-12-15)20-21(5,6)18(2,3)4/h10,15-18,20,23-26H,2,9,11-14,19H2,1,3-8H3;10,15-18,20,23-26,28H,2,9,11-14,19H2,1,3-8H3;10,15-18,20,23,25-26H,2,9,11-14,19H2,1,3-8H3;11-14,17H,7-10H2,1-6H3/t20-,23+,24-,25?,26?;20-,23+,24+,25?,26?;20-,23+,25?,26?;/m111./s1.
What are the key properties of 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?
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 has a molecular weight of 1680.11 g/mol, XLogP of 32.57, 37 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91196055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).