[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane

C52H94O12Si4 — CID 11829146

IUPAC[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCOCOC[C@H]1O[C@@H](C#CC#C[C@H]2[C@H](OCOC)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C#C[Si](C)(C)C)O[C@@H]2COCOC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCOC)[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C52H94O12Si4/c1-37(2)67(38(3)4,39(5)6)63-51-45(61-48(32-58-34-54-14)44(27-29-65(17,18)19)50(51)60-36-56-16)26-24-23-25-43-47(31-57-33-53-13)62-46(28-30-66(20,21)22)52(49(43)59-35-55-15)64-68(40(7)8,41(9)10)42(11)12/h37-52H,31-36H2,1-22H3/t43-,44-,45+,46+,47-,48-,49+,50+,51+,52+/m1/s1
InChIKeyYTCCBWVRGSWTLY-GMKFQEFESA-N
MW1023.66 g/mol
LogP9.86
Rot. Bonds24

About [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane

[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11829146) has the molecular formula C52H94O12Si4 and a molecular weight of 1023.66 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11829146
Molecular FormulaC52H94O12Si4
Molecular Weight1023.66 g/mol
Exact Mass1022.58
IUPAC Name[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCOCOC[C@H]1O[C@@H](C#CC#C[C@H]2[C@H](OCOC)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C#C[Si](C)(C)C)O[C@@H]2COCOC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCOC)[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C52H94O12Si4/c1-37(2)67(38(3)4,39(5)6)63-51-45(61-48(32-58-34-54-14)44(27-29-65(17,18)19)50(51)60-36-56-16)26-24-23-25-43-47(31-57-33-53-13)62-46(28-30-66(20,21)22)52(49(43)59-35-55-15)64-68(40(7)8,41(9)10)42(11)12/h37-52H,31-36H2,1-22H3/t43-,44-,45+,46+,47-,48-,49+,50+,51+,52+/m1/s1
InChIKeyYTCCBWVRGSWTLY-GMKFQEFESA-N
XLogP9.86
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.66
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
CID 11093289
(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
tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11353609
(2S,3S,4S,5R,6S)-3-[4-[(2S,3R,4S,5R,6S)-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 101678074
2-[(2S,3R,4S,5R,6S)-6-(2-iodoethynyl)-4,5-bis(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]ethynyl-trimethylsilane
CID 134885086
(2R,3R,4R,5R,6S)-2-ethynyl-5-[4-[(2S,3S,4R,6S)-6-ethynyl-4-(methoxymethoxy)-2-(methoxymethoxymethyl)oxan-3-yl]buta-1,3-diynyl]-3,4-bis(methoxymethoxy)-6-(methoxymethoxymethyl)oxane
CID 134885112
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 134940741
(1R,6R,8S,9R,14R,16S,17S,18R,19S,20R)-17,18,19,20-tetrakis(methoxymethoxy)-8,16-bis(methoxymethoxymethyl)-7,15-dioxatricyclo[12.2.2.26,9]icosa-2,4,10,12-tetrayne
CID 134977091
tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 135054611
tert-butyl-[[(4S,10S,12R)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 135056052
Obmcahwikustfn-qqxkllmisa-
CID 21591664
[(2R,4R,5R,6R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102333493

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane (CID 11829146) is [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane is COCOC[C@H]1O[C@@H](C#CC#C[C@H]2[C@H](OCOC)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C#C[Si](C)(C)C)O[C@@H]2COCOC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCOC)[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is YTCCBWVRGSWTLY-GMKFQEFESA-N. The full InChI is InChI=1S/C52H94O12Si4/c1-37(2)67(38(3)4,39(5)6)63-51-45(61-48(32-58-34-54-14)44(27-29-65(17,18)19)50(51)60-36-56-16)26-24-23-25-43-47(31-57-33-53-13)62-46(28-30-66(20,21)22)52(49(43)59-35-55-15)64-68(40(7)8,41(9)10)42(11)12/h37-52H,31-36H2,1-22H3/t43-,44-,45+,46+,47-,48-,49+,50+,51+,52+/m1/s1.
What are the key properties of [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 1023.66 g/mol, XLogP of 9.86, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-[4-[(2S,3R,4S,5R,6S)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-3-yl]buta-1,3-diynyl]-6-(methoxymethoxymethyl)-5-(2-trimethylsilylethynyl)oxan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11829146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).