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

C20H38O3Si2 — CID 10927070

IUPACtert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESC#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/C20H38O3Si2/c1-12-16-13-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h1,13-14,16-18H,15H2,2-11H3/t16-,17+,18-/m1/s1
InChIKeyQQFNUYATGOBMQP-FGTMMUONSA-N
MW382.69 g/mol
LogP5.36
Rot. Bonds5

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

tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (PubChem CID 10927070) has the molecular formula C20H38O3Si2 and a molecular weight of 382.69 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
PubChem CID10927070
Molecular FormulaC20H38O3Si2
Molecular Weight382.69 g/mol
Exact Mass382.24
IUPAC Nametert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
SMILESC#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/C20H38O3Si2/c1-12-16-13-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h1,13-14,16-18H,15H2,2-11H3/t16-,17+,18-/m1/s1
InChIKeyQQFNUYATGOBMQP-FGTMMUONSA-N
XLogP5.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.36
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 11613803
[(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
triethyl-[(3R,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 134939457
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
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 153467094
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 173852767
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-dimethyl-[[(2S,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10586275

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane (CID 10927070) is tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is 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)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
The InChIKey is QQFNUYATGOBMQP-FGTMMUONSA-N. The full InChI is InChI=1S/C20H38O3Si2/c1-12-16-13-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h1,13-14,16-18H,15H2,2-11H3/t16-,17+,18-/m1/s1.
What are the key properties of tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane has a molecular weight of 382.69 g/mol, XLogP of 5.36, 5 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)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10927070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).