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

C20H38O3Si2 — CID 11429013

IUPACtert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESC#C[C@@H]1C=C(O[Si](CC)(CC)CC)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H38O3Si2/c1-10-17-14-18(23-25(11-2,12-3)13-4)15-19(22-17)16-21-24(8,9)20(5,6)7/h1,14,17,19H,11-13,15-16H2,2-9H3/t17-,19-/m1/s1
InChIKeyIZJYJDKENSVGBV-IEBWSBKVSA-N
MW382.69 g/mol
LogP5.70
Rot. Bonds8

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

tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 11429013) has the molecular formula C20H38O3Si2 and a molecular weight of 382.69 g/mol. Its IUPAC name is tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID11429013
Molecular FormulaC20H38O3Si2
Molecular Weight382.69 g/mol
Exact Mass382.24
IUPAC Nametert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESC#C[C@@H]1C=C(O[Si](CC)(CC)CC)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H38O3Si2/c1-10-17-14-18(23-25(11-2,12-3)13-4)15-19(22-17)16-21-24(8,9)20(5,6)7/h1,14,17,19H,11-13,15-16H2,2-9H3/t17-,19-/m1/s1
InChIKeyIZJYJDKENSVGBV-IEBWSBKVSA-N
XLogP5.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-dimethyl-[2-[3-methyl-4-triethylsilyloxy-2-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 154711642
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-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 151629584
tert-butyl-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 173852768
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,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 10927070
[(2R,3S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-6-ylidene]chromium
CID 10963248
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
tert-butyl-[[(2R,6R)-6-ethyl-5-methyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11258107
tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 11617416

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 11429013) is tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is C#C[C@@H]1C=C(O[Si](CC)(CC)CC)C[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is IZJYJDKENSVGBV-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H38O3Si2/c1-10-17-14-18(23-25(11-2,12-3)13-4)15-19(22-17)16-21-24(8,9)20(5,6)7/h1,14,17,19H,11-13,15-16H2,2-9H3/t17-,19-/m1/s1.
What are the key properties of tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 382.69 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,6S)-6-ethynyl-4-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11429013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).