tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane

C22H42O5Si2 — CID 134882733

About tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane

tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane (PubChem CID 134882733) has the molecular formula C22H42O5Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
• PubChem CID: 134882733
• Molecular Formula: C22H42O5Si2
• Molecular Weight: 442.75 g/mol
• Exact Mass: 442.26
• IUPAC Name: tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
• SMILES: C=C(O[C@H]1[C@H](C)OC=C[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H42O5Si2/c1-16-20(25-18(3)27-29(12,13)22(7,8)9)19(14-15-23-16)24-17(2)26-28(10,11)21(4,5)6/h14-16,19-20H,2-3H2,1,4-13H3/t16-,19-,20-/m0/s1
• InChIKey: KTRWOZWBFGBIIH-VDGAXYAQSA-N
• XLogP: 6.68
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.75
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane (CID 134882733) is tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane is C=C(O[C@H]1[C@H](C)OC=C[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane?

The InChIKey is KTRWOZWBFGBIIH-VDGAXYAQSA-N. The full InChI is InChI=1S/C22H42O5Si2/c1-16-20(25-18(3)27-29(12,13)22(7,8)9)19(14-15-23-16)24-17(2)26-28(10,11)21(4,5)6/h14-16,19-20H,2-3H2,1,4-13H3/t16-,19-,20-/m0/s1.

What are the key properties of tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane?

tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane has a molecular weight of 442.75 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[[(2S,3S,4S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane is sourced from PubChem (CID 134882733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).