tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane

C22H42O6Si — CID 10502775

IUPACtert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane
SMILESCOC(C)(C)[C@@]12C[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C22H42O6Si/c1-18(2,3)29(11,12)27-16-15-14(24-20(6,7)25-15)13-22(19(4,5)23-10)17(16)26-21(8,9)28-22/h14-17H,13H2,1-12H3/t14-,15-,16-,17+,22-/m1/s1
InChIKeyYICIIMOPVGKDBQ-GQTOQBHESA-N
MW430.66 g/mol
LogP4.62
Rot. Bonds4

About tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane (PubChem CID 10502775) has the molecular formula C22H42O6Si and a molecular weight of 430.66 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane
PubChem CID10502775
Molecular FormulaC22H42O6Si
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Nametert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane
SMILESCOC(C)(C)[C@@]12C[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C22H42O6Si/c1-18(2,3)29(11,12)27-16-15-14(24-20(6,7)25-15)13-22(19(4,5)23-10)17(16)26-21(8,9)28-22/h14-17H,13H2,1-12H3/t14-,15-,16-,17+,22-/m1/s1
InChIKeyYICIIMOPVGKDBQ-GQTOQBHESA-N
XLogP4.62
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane (CID 10502775) is tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane is COC(C)(C)[C@@]12C[C@H]3OC(C)(C)O[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O2.
What is the InChIKey of tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane?
The InChIKey is YICIIMOPVGKDBQ-GQTOQBHESA-N. The full InChI is InChI=1S/C22H42O6Si/c1-18(2,3)29(11,12)27-16-15-14(24-20(6,7)25-15)13-22(19(4,5)23-10)17(16)26-21(8,9)28-22/h14-17H,13H2,1-12H3/t14-,15-,16-,17+,22-/m1/s1.
What are the key properties of tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane has a molecular weight of 430.66 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,3S,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10502775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).