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

C26H50O6Si2 — CID 11092490

IUPACtert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESCO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC[C@H]2O[C@H](OC)C=C[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C26H50O6Si2/c1-25(2,3)33(9,10)31-21-15-17-23(27-7)29-19(21)13-14-20-22(16-18-24(28-8)30-20)32-34(11,12)26(4,5)6/h15-24H,13-14H2,1-12H3/t19-,20+,21-,22+,23+,24-
InChIKeyPPINGOFDENTDRZ-BUOQGALMSA-N
MW514.85 g/mol
LogP6.40
Rot. Bonds9

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

tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (PubChem CID 11092490) has the molecular formula C26H50O6Si2 and a molecular weight of 514.85 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
PubChem CID11092490
Molecular FormulaC26H50O6Si2
Molecular Weight514.85 g/mol
Exact Mass514.31
IUPAC Nametert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESCO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC[C@H]2O[C@H](OC)C=C[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C26H50O6Si2/c1-25(2,3)33(9,10)31-21-15-17-23(27-7)29-19(21)13-14-20-22(16-18-24(28-8)30-20)32-34(11,12)26(4,5)6/h15-24H,13-14H2,1-12H3/t19-,20+,21-,22+,23+,24-
InChIKeyPPINGOFDENTDRZ-BUOQGALMSA-N
XLogP6.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.85
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (CID 11092490) is tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is CO[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CC[C@H]2O[C@H](OC)C=C[C@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The InChIKey is PPINGOFDENTDRZ-BUOQGALMSA-N. The full InChI is InChI=1S/C26H50O6Si2/c1-25(2,3)33(9,10)31-21-15-17-23(27-7)29-19(21)13-14-20-22(16-18-24(28-8)30-20)32-34(11,12)26(4,5)6/h15-24H,13-14H2,1-12H3/t19-,20+,21-,22+,23+,24-.
What are the key properties of tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane has a molecular weight of 514.85 g/mol, XLogP of 6.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11092490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).