tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane

C20H44O4Si2 — CID 134971343

IUPACtert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@H]1OC(C)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-14-15(2)22-18(21-9)17(24-26(12,13)20(6,7)8)16(14)23-25(10,11)19(3,4)5/h14-18H,1-13H3/t14-,15?,16?,17?,18+/m1/s1
InChIKeyOGBMTCRWZRFJKF-ASZWDNHYSA-N
MW404.74 g/mol
LogP5.79
Rot. Bonds5

About tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane (PubChem CID 134971343) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
PubChem CID134971343
Molecular FormulaC20H44O4Si2
Molecular Weight404.74 g/mol
Exact Mass404.28
IUPAC Nametert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@H]1OC(C)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-14-15(2)22-18(21-9)17(24-26(12,13)20(6,7)8)16(14)23-25(10,11)19(3,4)5/h14-18H,1-13H3/t14-,15?,16?,17?,18+/m1/s1
InChIKeyOGBMTCRWZRFJKF-ASZWDNHYSA-N
XLogP5.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

alpha-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)-
CID 11038830
((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
beta-D-Glucopyranose, TMS
CID 13587619
1,2,3,4,6-Pentakis-O-(trimethylsilyl)hexopyranose
CID 520562
alpha-Galactose, TMS
CID 6427851
Glyceryl-glycoside TMS ether
CID 91733362
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6R)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11341648
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11421312
D-Galactose, TMS
CID 91747814
trimethyl-[(2S,3R,4R,5S)-2-methyl-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxysilane
CID 11733119
Trimethylsilyl-L-(+)-rhamnose
CID 11858821
(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane (CID 134971343) is tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane is CO[C@H]1OC(C)[C@@H](C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is OGBMTCRWZRFJKF-ASZWDNHYSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-14-15(2)22-18(21-9)17(24-26(12,13)20(6,7)8)16(14)23-25(10,11)19(3,4)5/h14-18H,1-13H3/t14-,15?,16?,17?,18+/m1/s1.
What are the key properties of tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 404.74 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 134971343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).