tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane

C23H42O4Si2 — CID 11362658

IUPACtert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane
SMILESC=C(C)O[C@@H]1C(C#C[Si](C)(C)C)=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)C
InChIInChI=1S/C23H42O4Si2/c1-17(2)25-21-19(13-14-28(8,9)10)15-20(27-22(21)26-18(3)4)16-24-29(11,12)23(5,6)7/h15,18,20-22H,1,16H2,2-12H3/t20-,21+,22-/m0/s1
InChIKeyXPYKJGIKXYWMAL-BDTNDASRSA-N
MW438.76 g/mol
LogP5.88
Rot. Bonds7

About tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane (PubChem CID 11362658) has the molecular formula C23H42O4Si2 and a molecular weight of 438.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane
PubChem CID11362658
Molecular FormulaC23H42O4Si2
Molecular Weight438.76 g/mol
Exact Mass438.26
IUPAC Nametert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane
SMILESC=C(C)O[C@@H]1C(C#C[Si](C)(C)C)=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)C
InChIInChI=1S/C23H42O4Si2/c1-17(2)25-21-19(13-14-28(8,9)10)15-20(27-22(21)26-18(3)4)16-24-29(11,12)23(5,6)7/h15,18,20-22H,1,16H2,2-12H3/t20-,21+,22-/m0/s1
InChIKeyXPYKJGIKXYWMAL-BDTNDASRSA-N
XLogP5.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane
CID 15605685
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-[[2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 134929022
triethyl-[(6-methoxy-3-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)methoxy]silane
CID 20577464
tert-butyl-[[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 173844225
[(2R,3S,6S)-6-methoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10473348
[(2R,3S,6S)-3,6-bis(prop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10497125
tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 10520213
tert-butyl-dimethyl-[[(2R,3S,6S)-6-prop-2-enoxy-3-prop-2-ynoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10521008
tert-butyl-[[(2R,3S,6S)-6-ethoxy-3-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 10664075

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane (CID 11362658) is tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane is C=C(C)O[C@@H]1C(C#C[Si](C)(C)C)=C[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane?
The InChIKey is XPYKJGIKXYWMAL-BDTNDASRSA-N. The full InChI is InChI=1S/C23H42O4Si2/c1-17(2)25-21-19(13-14-28(8,9)10)15-20(27-22(21)26-18(3)4)16-24-29(11,12)23(5,6)7/h15,18,20-22H,1,16H2,2-12H3/t20-,21+,22-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane has a molecular weight of 438.76 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,3R,6S)-2-propan-2-yloxy-3-prop-1-en-2-yloxy-4-(2-trimethylsilylethynyl)-3,6-dihydro-2H-pyran-6-yl]methoxy]silane is sourced from PubChem (CID 11362658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).