[(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane

C25H54O3Si3 — CID 11081434

About [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane

[(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane (PubChem CID 11081434) has the molecular formula C25H54O3Si3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane
• PubChem CID: 11081434
• Molecular Formula: C25H54O3Si3
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.34
• IUPAC Name: [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane
• SMILES: C#C[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H54O3Si3/c1-18-21(27-30(14,15)24(6,7)8)19-22(28-31(16,17)25(9,10)11)20(2)26-29(12,13)23(3,4)5/h1,20-22H,19H2,2-17H3/t20-,21+,22-/m1/s1
• InChIKey: YLDDYRWODNECRF-BHIFYINESA-N
• XLogP: 8.20
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane (CID 11081434) is [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane is C#C[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane?

The InChIKey is YLDDYRWODNECRF-BHIFYINESA-N. The full InChI is InChI=1S/C25H54O3Si3/c1-18-21(27-30(14,15)24(6,7)8)19-22(28-31(16,17)25(9,10)11)20(2)26-29(12,13)23(3,4)5/h1,20-22H,19H2,2-17H3/t20-,21+,22-/m1/s1.

What are the key properties of [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane?

[(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane has a molecular weight of 486.96 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylpentoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11081434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).