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

C19H40O4Si2 — CID 132520571

IUPACtert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCO[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
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(8,9)21-14-16-15(12-13-17(20-7)22-16)23-25(10,11)19(4,5)6/h12-13,15-17H,14H2,1-11H3/t15-,16-,17+/m1/s1
InChIKeyFBALCFMXXCLKFC-ZACQAIPSSA-N
MW388.70 g/mol
LogP5.33
Rot. Bonds6

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

tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 132520571) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID132520571
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Nametert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCO[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
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(8,9)21-14-16-15(12-13-17(20-7)22-16)23-25(10,11)19(4,5)6/h12-13,15-17H,14H2,1-11H3/t15-,16-,17+/m1/s1
InChIKeyFBALCFMXXCLKFC-ZACQAIPSSA-N
XLogP5.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
tert-butyl-[[(2R,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657490
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 101259942
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 101685938
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 132520571) is tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CO[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,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is FBALCFMXXCLKFC-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-18(2,3)24(8,9)21-14-16-15(12-13-17(20-7)22-16)23-25(10,11)19(4,5)6/h12-13,15-17H,14H2,1-11H3/t15-,16-,17+/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 388.70 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 132520571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).