tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane

C21H44O3Si2 — CID 11395494

IUPACtert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane
SMILESC=CCC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CC1CO1
InChIInChI=1S/C21H44O3Si2/c1-12-13-21(14-18-15-22-18,16-23-25(8,9)19(2,3)4)17-24-26(10,11)20(5,6)7/h12,18H,1,13-17H2,2-11H3
InChIKeyUQTIZFFFXXTKKG-UHFFFAOYSA-N
MW400.75 g/mol
LogP6.38
Rot. Bonds10

About tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane

tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane (PubChem CID 11395494) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane
PubChem CID11395494
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane
SMILESC=CCC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CC1CO1
InChIInChI=1S/C21H44O3Si2/c1-12-13-21(14-18-15-22-18,16-23-25(8,9)19(2,3)4)17-24-26(10,11)20(5,6)7/h12,18H,1,13-17H2,2-11H3
InChIKeyUQTIZFFFXXTKKG-UHFFFAOYSA-N
XLogP6.38
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane (CID 11395494) is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane is C=CCC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CC1CO1.
What is the InChIKey of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane?
The InChIKey is UQTIZFFFXXTKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-12-13-21(14-18-15-22-18,16-23-25(8,9)19(2,3)4)17-24-26(10,11)20(5,6)7/h12,18H,1,13-17H2,2-11H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane?
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane has a molecular weight of 400.75 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(oxiran-2-ylmethyl)pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 11395494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).