tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane

C29H62O3Si2Sn — CID 134974943

IUPACtert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H35O3Si2.3C4H9.Sn/c1-16(2,3)21(7,8)19-13-15-14(11-12-18-15)20-22(9,10)17(4,5)6;3*1-3-4-2;/h11,14-15H,13H2,1-10H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m0..../s1
InChIKeyNTGWKPZIMZTYFX-VSDDYELYSA-N
MW633.70 g/mol
LogP10.07
Rot. Bonds15

About tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane (PubChem CID 134974943) has the molecular formula C29H62O3Si2Sn and a molecular weight of 633.70 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
PubChem CID134974943
Molecular FormulaC29H62O3Si2Sn
Molecular Weight633.70 g/mol
Exact Mass634.33
IUPAC Nametert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H35O3Si2.3C4H9.Sn/c1-16(2,3)21(7,8)19-13-15-14(11-12-18-15)20-22(9,10)17(4,5)6;3*1-3-4-2;/h11,14-15H,13H2,1-10H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m0..../s1
InChIKeyNTGWKPZIMZTYFX-VSDDYELYSA-N
XLogP10.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.70
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane (CID 134974943) is tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)C1=C[C@H](O[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-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?
The InChIKey is NTGWKPZIMZTYFX-VSDDYELYSA-N. The full InChI is InChI=1S/C17H35O3Si2.3C4H9.Sn/c1-16(2,3)21(7,8)19-13-15-14(11-12-18-15)20-22(9,10)17(4,5)6;3*1-3-4-2;/h11,14-15H,13H2,1-10H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m0..../s1.
What are the key properties of tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane has a molecular weight of 633.70 g/mol, XLogP of 10.07, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tributylstannyl-2,3-dihydrofuran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 134974943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).