tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

C24H50O3Si2Sn — CID 11050001

IUPACtert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESC/C(=C\[Sn](C)(C)C)[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/C21H41O3Si2.3CH3.Sn/c1-16(2)17-13-14-18(24-26(11,12)21(6,7)8)19(23-17)15-22-25(9,10)20(3,4)5;;;;/h1,13-14,17-19H,15H2,2-12H3;3*1H3;/t17-,18-,19+;;;;/m0..../s1
InChIKeyZMBGSWLYLYGLOZ-MJZWCIIFSA-N
MW561.54 g/mol
LogP7.55
Rot. Bonds7

About tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (PubChem CID 11050001) has the molecular formula C24H50O3Si2Sn and a molecular weight of 561.54 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
PubChem CID11050001
Molecular FormulaC24H50O3Si2Sn
Molecular Weight561.54 g/mol
Exact Mass562.23
IUPAC Nametert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESC/C(=C\[Sn](C)(C)C)[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/C21H41O3Si2.3CH3.Sn/c1-16(2)17-13-14-18(24-26(11,12)21(6,7)8)19(23-17)15-22-25(9,10)20(3,4)5;;;;/h1,13-14,17-19H,15H2,2-12H3;3*1H3;/t17-,18-,19+;;;;/m0..../s1
InChIKeyZMBGSWLYLYGLOZ-MJZWCIIFSA-N
XLogP7.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.54
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
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
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
[(2R,3R)-2-ethenyl-3,6-dihydro-2H-pyran-3-yl]oxy-tris(trimethylsilyl)silane
CID 134850817
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
tert-butyl-[[(2R)-6-[[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134930747
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-(3,6-dihydro-2H-pyran-6-ylmethoxy)-dimethylsilane
CID 135082260
tert-butyl-[[(2S,5S)-5-ethyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 154711795
tert-butyl-dimethyl-[[(1R,2R,5S)-3-triethylsilyloxy-8-oxabicyclo[3.2.1]octa-3,6-dien-2-yl]oxy]silane
CID 11257174
tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (CID 11050001) is tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is C/C(=C\[Sn](C)(C)C)[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)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The InChIKey is ZMBGSWLYLYGLOZ-MJZWCIIFSA-N. The full InChI is InChI=1S/C21H41O3Si2.3CH3.Sn/c1-16(2)17-13-14-18(24-26(11,12)21(6,7)8)19(23-17)15-22-25(9,10)20(3,4)5;;;;/h1,13-14,17-19H,15H2,2-12H3;3*1H3;/t17-,18-,19+;;;;/m0..../s1.
What are the key properties of tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane has a molecular weight of 561.54 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(E)-1-trimethylstannylprop-1-en-2-yl]-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11050001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).