tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

C35H70O6Si2 — CID 52920732

IUPACtert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
SMILESC[C@@H]1[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C35H70O6Si2/c1-24(23-36-42(14,15)31(4,5)6)30-25(2)28(38-33(10,11)40-30)22-27-18-20-35(13,37-27)29-19-21-34(12,39-29)26(3)41-43(16,17)32(7,8)9/h24-30H,18-23H2,1-17H3/t24-,25+,26-,27+,28+,29-,30-,34+,35+/m1/s1
InChIKeyRKLONNVHABLJIG-ROKFZYEFSA-N
MW643.11 g/mol
LogP9.48
Rot. Bonds10

About tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (PubChem CID 52920732) has the molecular formula C35H70O6Si2 and a molecular weight of 643.11 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
PubChem CID52920732
Molecular FormulaC35H70O6Si2
Molecular Weight643.11 g/mol
Exact Mass642.47
IUPAC Nametert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
SMILESC[C@@H]1[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C35H70O6Si2/c1-24(23-36-42(14,15)31(4,5)6)30-25(2)28(38-33(10,11)40-30)22-27-18-20-35(13,37-27)29-19-21-34(12,39-29)26(3)41-43(16,17)32(7,8)9/h24-30H,18-23H2,1-17H3/t24-,25+,26-,27+,28+,29-,30-,34+,35+/m1/s1
InChIKeyRKLONNVHABLJIG-ROKFZYEFSA-N
XLogP9.48
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.11
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane with MolForge

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Related Compounds

(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 14704730
(2S,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,5-dimethylhexane-2,4-diol
CID 52920666
(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-2-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxan-4-ol
CID 100999902
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
tert-butyl-[2-[(3S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
CID 134954932
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135024962
tert-butyl-[[(2S,5R)-5-(methoxymethoxymethyl)-5-undecyloxolan-2-yl]methoxy]-dimethylsilane
CID 135030067
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-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135055285
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
Planteose: aD-Galp(1->6)-bDFruf(2->1)-aGlu, oxime-TMS
CID 91753247
[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]methoxy-tri(propan-2-yl)silane
CID 14609966

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane (CID 52920732) is tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is C[C@@H]1[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@H]1C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
The InChIKey is RKLONNVHABLJIG-ROKFZYEFSA-N. The full InChI is InChI=1S/C35H70O6Si2/c1-24(23-36-42(14,15)31(4,5)6)30-25(2)28(38-33(10,11)40-30)22-27-18-20-35(13,37-27)29-19-21-34(12,39-29)26(3)41-43(16,17)32(7,8)9/h24-30H,18-23H2,1-17H3/t24-,25+,26-,27+,28+,29-,30-,34+,35+/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane has a molecular weight of 643.11 g/mol, XLogP of 9.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(4R,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 52920732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).