tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane

C29H64O2Si2Sn — CID 10555844

IUPACtert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
SMILESCCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H37O2Si2.3C4H9.Sn/c1-12-13-15(19-21(10,11)17(5,6)7)14-18-20(8,9)16(2,3)4;3*1-3-4-2;/h12-13,15H,1,14H2,2-11H3;3*1,3-4H2,2H3;/b13-12+;;;;/t15-;;;;/m0..../s1
InChIKeyCEZJXEXNYIXWGX-RSXOLTJQSA-N
MW619.71 g/mol
LogP10.80
Rot. Bonds17

About tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane

tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane (PubChem CID 10555844) has the molecular formula C29H64O2Si2Sn and a molecular weight of 619.71 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
PubChem CID10555844
Molecular FormulaC29H64O2Si2Sn
Molecular Weight619.71 g/mol
Exact Mass620.35
IUPAC Nametert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
SMILESCCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H37O2Si2.3C4H9.Sn/c1-12-13-15(19-21(10,11)17(5,6)7)14-18-20(8,9)16(2,3)4;3*1-3-4-2;/h12-13,15H,1,14H2,2-11H3;3*1,3-4H2,2H3;/b13-12+;;;;/t15-;;;;/m0..../s1
InChIKeyCEZJXEXNYIXWGX-RSXOLTJQSA-N
XLogP10.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.71
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane (CID 10555844) is tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane is CCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
The InChIKey is CEZJXEXNYIXWGX-RSXOLTJQSA-N. The full InChI is InChI=1S/C17H37O2Si2.3C4H9.Sn/c1-12-13-15(19-21(10,11)17(5,6)7)14-18-20(8,9)16(2,3)4;3*1-3-4-2;/h12-13,15H,1,14H2,2-11H3;3*1,3-4H2,2H3;/b13-12+;;;;/t15-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane has a molecular weight of 619.71 g/mol, XLogP of 10.80, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 10555844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).