tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane

C21H44O3Si2 — CID 71762688

IUPACtert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane
SMILESC=CC[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H44O3Si2/c1-12-13-18-14-17(15-22-25(8,9)20(2,3)4)19(24-18)16-23-26(10,11)21(5,6)7/h12,17-19H,1,13-16H2,2-11H3/t17-,18+,19-/m1/s1
InChIKeyTXUFWPCLZPPQML-CEXWTWQISA-N
MW400.75 g/mol
LogP6.38
Rot. Bonds8

About tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane (PubChem CID 71762688) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane
PubChem CID71762688
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Nametert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane
SMILESC=CC[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C21H44O3Si2/c1-12-13-18-14-17(15-22-25(8,9)20(2,3)4)19(24-18)16-23-26(10,11)21(5,6)7/h12,17-19H,1,13-16H2,2-11H3/t17-,18+,19-/m1/s1
InChIKeyTXUFWPCLZPPQML-CEXWTWQISA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane (CID 71762688) is tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane is C=CC[C@H]1C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane?
The InChIKey is TXUFWPCLZPPQML-CEXWTWQISA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-12-13-18-14-17(15-22-25(8,9)20(2,3)4)19(24-18)16-23-26(10,11)21(5,6)7/h12,17-19H,1,13-16H2,2-11H3/t17-,18+,19-/m1/s1.
What are the key properties of tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane has a molecular weight of 400.75 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 71762688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).