tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane

C21H36O5Si — CID 134896322

IUPACtert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
SMILESCOc1ccc(CO[C@H]2C[C@@H](OC)O[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H36O5Si/c1-15-20(26-27(7,8)21(2,3)4)18(13-19(23-6)25-15)24-14-16-9-11-17(22-5)12-10-16/h9-12,15,18-20H,13-14H2,1-8H3/t15-,18-,19-,20+/m0/s1
InChIKeyZLALJKGGEAQWTC-MVJPYGJCSA-N
MW396.60 g/mol
LogP4.75
Rot. Bonds7

About tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 134896322) has the molecular formula C21H36O5Si and a molecular weight of 396.60 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID134896322
Molecular FormulaC21H36O5Si
Molecular Weight396.60 g/mol
Exact Mass396.23
IUPAC Nametert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane
SMILESCOc1ccc(CO[C@H]2C[C@@H](OC)O[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H36O5Si/c1-15-20(26-27(7,8)21(2,3)4)18(13-19(23-6)25-15)24-14-16-9-11-17(22-5)12-10-16/h9-12,15,18-20H,13-14H2,1-8H3/t15-,18-,19-,20+/m0/s1
InChIKeyZLALJKGGEAQWTC-MVJPYGJCSA-N
XLogP4.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656
tert-butyl-[(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4R,5R,6R)-5-methoxy-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-dimethylsilane
CID 73293157
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
(2S,3R,4S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-phenylsulfanyloxan-4-ol
CID 11225595
(1R,2S,3R,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-[(4-methoxyphenyl)methoxy]cyclobutan-1-ol
CID 11233859
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
tert-butyl-[[(2S,3S,4R,5R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-iodo-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]methoxy]-dimethylsilane
CID 117071244
(2R,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-6-methyl-4-phenylmethoxyoxan-2-ol
CID 171126123
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
[(2R,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyloxan-2-yl]methanol
CID 25137433
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-[(4-methoxyphenyl)methoxy]oxan-2-one
CID 101429250

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane (CID 134896322) is tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane is COc1ccc(CO[C@H]2C[C@@H](OC)O[C@@H](C)[C@H]2O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is ZLALJKGGEAQWTC-MVJPYGJCSA-N. The full InChI is InChI=1S/C21H36O5Si/c1-15-20(26-27(7,8)21(2,3)4)18(13-19(23-6)25-15)24-14-16-9-11-17(22-5)12-10-16/h9-12,15,18-20H,13-14H2,1-8H3/t15-,18-,19-,20+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 396.60 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4S,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134896322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).