(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol

C20H40O4Si2 — CID 134938289

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol
SMILESC[C@@H]1[C@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-15-16(12-13-25(7,8)9)22-20(5,6)23-18(15)17(14-21)24-26(10,11)19(2,3)4/h15-18,21H,14H2,1-11H3/t15-,16+,17-,18+/m0/s1
InChIKeyBANVIRMCUYRATJ-XWTMOSNGSA-N
MW400.71 g/mol
LogP4.41
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol (PubChem CID 134938289) has the molecular formula C20H40O4Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol
PubChem CID134938289
Molecular FormulaC20H40O4Si2
Molecular Weight400.71 g/mol
Exact Mass400.25
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol
SMILESC[C@@H]1[C@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-15-16(12-13-25(7,8)9)22-20(5,6)23-18(15)17(14-21)24-26(10,11)19(2,3)4/h15-18,21H,14H2,1-11H3/t15-,16+,17-,18+/m0/s1
InChIKeyBANVIRMCUYRATJ-XWTMOSNGSA-N
XLogP4.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol with MolForge

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Related Compounds

(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312
(3R,4S,5S)-4-methoxy-3-(methoxymethoxy)-5-methyl-2-(2-trimethylsilylethynyl)oxan-2-ol
CID 10662148
(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
(1S)-1-[(2S,3R,4R,5S,6S,8R,9R,10R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 11104127
(2S,3S,4S,5R,6S)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 11144353
[(2S,3R,6S,8R,9S)-3-butyl-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11214911
(4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-ol
CID 11627979
methyl 2,6-di-O-t-butyldimethylsilyl-beta-d-glucopyranoside
CID 12121976
Methyl-4-(triethylsiloxy)-6-(tert-butyldimethylsilyloxy)-alpha-D-mannopyranoside
CID 71607147
Methyl-3-(triethylsiloxy)-6-(tert-butyldimethylsilyloxy)-alpha-D-mannopyranoside
CID 71607153
Methyl-3-(triethylsiloxy)-6-(tert-butyldimethylsiloxy)-alpha-D-galactopyranoside
CID 71607155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol (CID 134938289) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol is C[C@@H]1[C@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol?
The InChIKey is BANVIRMCUYRATJ-XWTMOSNGSA-N. The full InChI is InChI=1S/C20H40O4Si2/c1-15-16(12-13-25(7,8)9)22-20(5,6)23-18(15)17(14-21)24-26(10,11)19(2,3)4/h15-18,21H,14H2,1-11H3/t15-,16+,17-,18+/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol has a molecular weight of 400.71 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 134938289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).