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

C21H40O5Si2 — CID 134882929

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

tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane (PubChem CID 134882929) has the molecular formula C21H40O5Si2 and a molecular weight of 428.72 g/mol. Its IUPAC name is tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
• PubChem CID: 134882929
• Molecular Formula: C21H40O5Si2
• Molecular Weight: 428.72 g/mol
• Exact Mass: 428.24
• IUPAC Name: tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane
• SMILES: C=C(O[C@@H]1C=COC[C@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H40O5Si2/c1-16(25-27(9,10)20(3,4)5)23-18-13-14-22-15-19(18)24-17(2)26-28(11,12)21(6,7)8/h13-14,18-19H,1-2,15H2,3-12H3/t18-,19-/m1/s1
• InChIKey: SUKSZFALRLRRRM-RTBURBONSA-N
• XLogP: 6.29
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.72
LogP ≤ 5	6.29
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-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane (CID 134882929) is tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane.

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

The canonical SMILES for tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane is C=C(O[C@@H]1C=COC[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-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane?

The InChIKey is SUKSZFALRLRRRM-RTBURBONSA-N. The full InChI is InChI=1S/C21H40O5Si2/c1-16(25-27(9,10)20(3,4)5)23-18-13-14-22-15-19(18)24-17(2)26-28(11,12)21(6,7)8/h13-14,18-19H,1-2,15H2,3-12H3/t18-,19-/m1/s1.

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

tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane has a molecular weight of 428.72 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[[(3R,4R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,4-dihydro-2H-pyran-4-yl]oxy]ethenoxy]-dimethylsilane is sourced from PubChem (CID 134882929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).