tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane

C25H50O3Si3 — CID 154711642

About tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane (PubChem CID 154711642) has the molecular formula C25H50O3Si3 and a molecular weight of 482.93 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
• PubChem CID: 154711642
• Molecular Formula: C25H50O3Si3
• Molecular Weight: 482.93 g/mol
• Exact Mass: 482.31
• IUPAC Name: tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
• SMILES: CC[Si](CC)(CC)OC1=CC(CCO[Si](C)(C)C(C)(C)C)OC(C#C[Si](C)(C)C)C1C
• InChI: InChI=1S/C25H50O3Si3/c1-13-31(14-2,15-3)28-24-20-22(16-18-26-30(11,12)25(5,6)7)27-23(21(24)4)17-19-29(8,9)10/h20-23H,13-16,18H2,1-12H3
• InChIKey: JWMMDHVQYSMJTB-UHFFFAOYSA-N
• XLogP: 7.59
• 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	482.93
LogP ≤ 5	7.59
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 tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane (CID 154711642) is tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane is CC[Si](CC)(CC)OC1=CC(CCO[Si](C)(C)C(C)(C)C)OC(C#C[Si](C)(C)C)C1C.

What is the InChIKey of tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane?

The InChIKey is JWMMDHVQYSMJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3Si3/c1-13-31(14-2,15-3)28-24-20-22(16-18-26-30(11,12)25(5,6)7)27-23(21(24)4)17-19-29(8,9)10/h20-23H,13-16,18H2,1-12H3.

What are the key properties of tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane?

tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane has a molecular weight of 482.93 g/mol, XLogP of 7.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane is sourced from PubChem (CID 154711642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).