tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

C21H44O3Si2 — CID 11258107

IUPACtert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCC[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC(O[Si](CC)(CC)CC)=C1C
InChIInChI=1S/C21H44O3Si2/c1-11-19-17(5)20(24-26(12-2,13-3)14-4)15-18(23-19)16-22-25(9,10)21(6,7)8/h18-19H,11-16H2,1-10H3/t18-,19-/m1/s1
InChIKeyNUZDGWKTYNKUJY-RTBURBONSA-N
MW400.75 g/mol
LogP6.87
Rot. Bonds9

About tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 11258107) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID11258107
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Nametert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESCC[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC(O[Si](CC)(CC)CC)=C1C
InChIInChI=1S/C21H44O3Si2/c1-11-19-17(5)20(24-26(12-2,13-3)14-4)15-18(23-19)16-22-25(9,10)21(6,7)8/h18-19H,11-16H2,1-10H3/t18-,19-/m1/s1
InChIKeyNUZDGWKTYNKUJY-RTBURBONSA-N
XLogP6.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[[(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
tert-butyl-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 173852773
tert-butyl-[[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-3-yl]methoxy]-dimethylsilane
CID 10570418
tert-butyl-[[(2R,6R)-6-[[(2R,6S)-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 11049329
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
[[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]-methoxymethylidene]chromium
CID 11051105
tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11429013
tert-butyl-[(1S)-1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethoxy]-dimethylsilane
CID 11507488
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11617416
tert-butyl-[[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-3-yl]methoxy]-dimethylsilane
CID 15332224
triethyl-[(E,1S)-6-methoxy-1-[(Z,1R)-1-methoxy-2-trimethylsilyloxybut-2-enyl]-2-methylhex-2-enoxy]silane
CID 51050719

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 11258107) is tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is CC[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)CC(O[Si](CC)(CC)CC)=C1C.
What is the InChIKey of tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is NUZDGWKTYNKUJY-RTBURBONSA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-11-19-17(5)20(24-26(12-2,13-3)14-4)15-18(23-19)16-22-25(9,10)21(6,7)8/h18-19H,11-16H2,1-10H3/t18-,19-/m1/s1.
What are the key properties of tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 400.75 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11258107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).