tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane

C25H46O4Si2 — CID 11442711

IUPACtert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC#C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46O4Si2/c1-15-17-19(28-30(11,12)23(3,4)5)21-22(27-25(9,10)26-21)20(18-16-2)29-31(13,14)24(6,7)8/h1-2,19-22H,17-18H2,3-14H3/t19-,20-,21-,22-/m1/s1
InChIKeyKOKSFJIHDROOAQ-GXRSIYKFSA-N
MW466.81 g/mol
LogP6.33
Rot. Bonds8

About tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane

tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane (PubChem CID 11442711) has the molecular formula C25H46O4Si2 and a molecular weight of 466.81 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
PubChem CID11442711
Molecular FormulaC25H46O4Si2
Molecular Weight466.81 g/mol
Exact Mass466.29
IUPAC Nametert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC#C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46O4Si2/c1-15-17-19(28-30(11,12)23(3,4)5)21-22(27-25(9,10)26-21)20(18-16-2)29-31(13,14)24(6,7)8/h1-2,19-22H,17-18H2,3-14H3/t19-,20-,21-,22-/m1/s1
InChIKeyKOKSFJIHDROOAQ-GXRSIYKFSA-N
XLogP6.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.81
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane (CID 11442711) is tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CC#C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The InChIKey is KOKSFJIHDROOAQ-GXRSIYKFSA-N. The full InChI is InChI=1S/C25H46O4Si2/c1-15-17-19(28-30(11,12)23(3,4)5)21-22(27-25(9,10)26-21)20(18-16-2)29-31(13,14)24(6,7)8/h1-2,19-22H,17-18H2,3-14H3/t19-,20-,21-,22-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane has a molecular weight of 466.81 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 11442711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).