tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane

C21H44O4Si2 — CID 12019918

IUPACtert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C21H44O4Si2/c1-12-17(25-27(10,11)21(5,6)7)19(18-16-23-18)22-14-13-15-24-26(8,9)20(2,3)4/h12,17-19H,1,13-16H2,2-11H3/t17-,18-,19-/m1/s1
InChIKeyWTNYZRYZNCSLBY-GUDVDZBRSA-N
MW416.75 g/mol
LogP5.76
Rot. Bonds11

About tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane

tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane (PubChem CID 12019918) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane
PubChem CID12019918
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Nametert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C21H44O4Si2/c1-12-17(25-27(10,11)21(5,6)7)19(18-16-23-18)22-14-13-15-24-26(8,9)20(2,3)4/h12,17-19H,1,13-16H2,2-11H3/t17-,18-,19-/m1/s1
InChIKeyWTNYZRYZNCSLBY-GUDVDZBRSA-N
XLogP5.76
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane (CID 12019918) is tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane?
The InChIKey is WTNYZRYZNCSLBY-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-12-17(25-27(10,11)21(5,6)7)19(18-16-23-18)22-14-13-15-24-26(8,9)20(2,3)4/h12,17-19H,1,13-16H2,2-11H3/t17-,18-,19-/m1/s1.
What are the key properties of tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane?
tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane has a molecular weight of 416.75 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enoxy]propoxy]-dimethylsilane is sourced from PubChem (CID 12019918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).