[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane

C25H54O3Si3 — CID 138984540

About [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane

[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane (PubChem CID 138984540) has the molecular formula C25H54O3Si3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane
• PubChem CID: 138984540
• Molecular Formula: C25H54O3Si3
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.34
• IUPAC Name: [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane
• SMILES: C#CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H54O3Si3/c1-17-18-19-21(27-30(13,14)24(5,6)7)22(28-31(15,16)25(8,9)10)20-26-29(11,12)23(2,3)4/h1,21-22H,18-20H2,2-16H3/t21-,22+/m1/s1
• InChIKey: XWEVLYMPEMQBJR-YADHBBJMSA-N
• XLogP: 8.20
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• 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 [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane (CID 138984540) is [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane is C#CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane?

The InChIKey is XWEVLYMPEMQBJR-YADHBBJMSA-N. The full InChI is InChI=1S/C25H54O3Si3/c1-17-18-19-21(27-30(13,14)24(5,6)7)22(28-31(15,16)25(8,9)10)20-26-29(11,12)23(2,3)4/h1,21-22H,18-20H2,2-16H3/t21-,22+/m1/s1.

What are the key properties of [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane?

[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane has a molecular weight of 486.96 g/mol, XLogP of 8.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 138984540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).