tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane

C23H48O2Si2 — CID 11407294

IUPACtert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane
SMILESC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-15-19(3)21(25-27(13,14)23(8,9)10)20(4)16-18(2)17-24-26(11,12)22(5,6)7/h1,18-21H,16-17H2,2-14H3/t18-,19+,20+,21+/m1/s1
InChIKeyAYPPPHYHITUTBD-ANULTFPQSA-N
MW412.81 g/mol
LogP7.33
Rot. Bonds9

About tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane

tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane (PubChem CID 11407294) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane
PubChem CID11407294
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane
SMILESC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-15-19(3)21(25-27(13,14)23(8,9)10)20(4)16-18(2)17-24-26(11,12)22(5,6)7/h1,18-21H,16-17H2,2-14H3/t18-,19+,20+,21+/m1/s1
InChIKeyAYPPPHYHITUTBD-ANULTFPQSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane (CID 11407294) is tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane is C#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane?
The InChIKey is AYPPPHYHITUTBD-ANULTFPQSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-15-19(3)21(25-27(13,14)23(8,9)10)20(4)16-18(2)17-24-26(11,12)22(5,6)7/h1,18-21H,16-17H2,2-14H3/t18-,19+,20+,21+/m1/s1.
What are the key properties of tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane?
tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane has a molecular weight of 412.81 g/mol, XLogP of 7.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloct-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 11407294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).