[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate

C26H52O6Si2 — CID 11598781

IUPAC[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@]2(OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)[C@@H]1C
InChIInChI=1S/C26H52O6Si2/c1-18-22(32-34(12,13)25(7,8)9)14-15-28-26(18)19(2)23(30-20(3)27)16-21(31-26)17-29-33(10,11)24(4,5)6/h18-19,21-23H,14-17H2,1-13H3/t18-,19+,21+,22+,23+,26+/m0/s1
InChIKeyAEYNLHRJDWLMHO-OPNRPHIUSA-N
MW516.87 g/mol
LogP6.51
Rot. Bonds6

About [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate

[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate (PubChem CID 11598781) has the molecular formula C26H52O6Si2 and a molecular weight of 516.87 g/mol. Its IUPAC name is [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
PubChem CID11598781
Molecular FormulaC26H52O6Si2
Molecular Weight516.87 g/mol
Exact Mass516.33
IUPAC Name[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@]2(OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)[C@@H]1C
InChIInChI=1S/C26H52O6Si2/c1-18-22(32-34(12,13)25(7,8)9)14-15-28-26(18)19(2)23(30-20(3)27)16-21(31-26)17-29-33(10,11)24(4,5)6/h18-19,21-23H,14-17H2,1-13H3/t18-,19+,21+,22+,23+,26+/m0/s1
InChIKeyAEYNLHRJDWLMHO-OPNRPHIUSA-N
XLogP6.51
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.87
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate with MolForge

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Related Compounds

[(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
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
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,3R,4S,6S)-3-acetyloxy-6-ethoxy-4-[[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]oxan-2-yl]methyl acetate
CID 21592707
[(2S,3R,4S,6R)-3-acetyloxy-6-ethoxy-4-[[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl]oxan-2-yl]methyl acetate
CID 101344740
(4S,4'aR,7'R,8'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-6',6'-dimethylspiro[1,3-dioxolane-4,3'-2,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran]-2-one
CID 102380500
[(1R,3R,8S,11R,14R)-8,13,13-trimethyl-6-oxo-1-trimethylsilyl-2,5,7,12-tetraoxatricyclo[9.5.0.03,8]hexadecan-14-yl] acetate
CID 102511858
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-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-[[(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

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate?
The IUPAC name of [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate (CID 11598781) is [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate.
What is the SMILES notation for [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate?
The canonical SMILES for [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate is CC(=O)O[C@@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@]2(OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)[C@@H]1C.
What is the InChIKey of [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate?
The InChIKey is AEYNLHRJDWLMHO-OPNRPHIUSA-N. The full InChI is InChI=1S/C26H52O6Si2/c1-18-22(32-34(12,13)25(7,8)9)14-15-28-26(18)19(2)23(30-20(3)27)16-21(31-26)17-29-33(10,11)24(4,5)6/h18-19,21-23H,14-17H2,1-13H3/t18-,19+,21+,22+,23+,26+/m0/s1.
What are the key properties of [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate?
[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate has a molecular weight of 516.87 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate is sourced from PubChem (CID 11598781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).