tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane

C20H44O4Si2 — CID 57235297

IUPACtert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)OC[C@@H]1C
InChIInChI=1S/C20H44O4Si2/c1-15-13-22-16(14-23-25(9,10)19(2,3)4)18(17(15)21-8)24-26(11,12)20(5,6)7/h15-18H,13-14H2,1-12H3/t15-,16-,17-,18-/m0/s1
InChIKeyMLTYQKGVSNKACW-XSLAGTTESA-N
MW404.74 g/mol
LogP5.45
Rot. Bonds6

About tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane (PubChem CID 57235297) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane
PubChem CID57235297
Molecular FormulaC20H44O4Si2
Molecular Weight404.74 g/mol
Exact Mass404.28
IUPAC Nametert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)OC[C@@H]1C
InChIInChI=1S/C20H44O4Si2/c1-15-13-22-16(14-23-25(9,10)19(2,3)4)18(17(15)21-8)24-26(11,12)20(5,6)7/h15-18H,13-14H2,1-12H3/t15-,16-,17-,18-/m0/s1
InChIKeyMLTYQKGVSNKACW-XSLAGTTESA-N
XLogP5.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane (CID 57235297) is tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane is CO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)OC[C@@H]1C.
What is the InChIKey of tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is MLTYQKGVSNKACW-XSLAGTTESA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-15-13-22-16(14-23-25(9,10)19(2,3)4)18(17(15)21-8)24-26(11,12)20(5,6)7/h15-18H,13-14H2,1-12H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 404.74 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 57235297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).