tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C20H42O4Si2 — CID 11795415

About tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 11795415) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
• PubChem CID: 11795415
• Molecular Formula: C20H42O4Si2
• Molecular Weight: 402.72 g/mol
• Exact Mass: 402.26
• IUPAC Name: tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
• SMILES: CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C20H42O4Si2/c1-12-21-18-14-13-16(24-26(10,11)20(5,6)7)17(23-18)15-22-25(8,9)19(2,3)4/h13-14,16-18H,12,15H2,1-11H3/t16-,17+,18-/m0/s1
• InChIKey: XNNKAHQXGQUNSU-KSZLIROESA-N
• XLogP: 5.72
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.72
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 11795415) is tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CCO[C@@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?

The InChIKey is XNNKAHQXGQUNSU-KSZLIROESA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-12-21-18-14-13-16(24-26(10,11)20(5,6)7)17(23-18)15-22-25(8,9)19(2,3)4/h13-14,16-18H,12,15H2,1-11H3/t16-,17+,18-/m0/s1.

What are the key properties of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?

tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 402.72 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11795415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).