Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol

C₉₈H₁₄₀F₈O₈Si₄ — CID 158062726

About Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol

Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 158062726) has the molecular formula C₉₈H₁₄₀F₈O₈Si₄ and a molecular weight of 1710.52 g/mol. Its IUPAC name is tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol
• PubChem CID: 158062726
• Molecular Formula: C₉₈H₁₄₀F₈O₈Si₄
• Molecular Weight: 1710.52 g/mol
• Exact Mass: 1708.95
• IUPAC Name: tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol
• SMILES: CC(C)(C)[C@@H](O)c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F.CC(C)(C)[C@H](O)c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F.CO[C@@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C.CO[C@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C
• InChI: InChI=1S/2C25H36F2O2Si.2C24H34F2O2Si/c2*1-24(2,3)23(28-7)21-14-17(16-29-30(8,9)25(4,5)6)10-12-19(21)20-15-18(26)11-13-22(20)27;2*1-23(2,3)22(27)20-13-16(15-28-29(7,8)24(4,5)6)9-11-18(20)19-14-17(25)10-12-21(19)26/h2*10-15,23H,16H2,1-9H3;2*9-14,22,27H,15H2,1-8H3/t2*23-;2*22-/m1010/s1
• InChIKey: FKVOUZNUXIYMQV-PNMRCXPTSA-N
• XLogP: 30.24
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1710.52
LogP ≤ 5	30.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol?

The IUPAC name of Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol (CID 158062726) is tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol.

What is the SMILES notation for Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol?

The canonical SMILES for Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol is CC(C)(C)[C@@H](O)c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F.CC(C)(C)[C@H](O)c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F.CO[C@@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C.CO[C@H](c1cc(CO[Si](C)(C)C(C)(C)C)ccc1-c1cc(F)ccc1F)C(C)(C)C.

What is the InChIKey of Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol?

The InChIKey is FKVOUZNUXIYMQV-PNMRCXPTSA-N. The full InChI is InChI=1S/2C25H36F2O2Si.2C24H34F2O2Si/c2*1-24(2,3)23(28-7)21-14-17(16-29-30(8,9)25(4,5)6)10-12-19(21)20-15-18(26)11-13-22(20)27;2*1-23(2,3)22(27)20-13-16(15-28-29(7,8)24(4,5)6)9-11-18(20)19-14-17(25)10-12-21(19)26/h2*10-15,23H,16H2,1-9H3;2*9-14,22,27H,15H2,1-8H3/t2*23-;2*22-/m1010/s1.

What are the key properties of Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol?

Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 1710.52 g/mol, XLogP of 30.24, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 158062726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158062726 — identifiers, structure, computed properties (public domain)

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