tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane

C17H37Cl3O3Si2Sn — CID 10578966

IUPACtert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](/C=C/C[Sn](Cl)(Cl)Cl)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H37O3Si2.3ClH.Sn/c1-10-11-16(14-20-22(8,9)17(2,3)4)19-15-18-12-13-21(5,6)7;;;;/h10-11,16H,1,12-15H2,2-9H3;3*1H;/q;;;;+3/p-3/b11-10+;;;;/t16-;;;;/m0..../s1
InChIKeyOWCXBIDTZNXGKH-OJIYQKSBSA-K
MW570.72 g/mol
LogP6.92
Rot. Bonds12

About tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane

tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane (PubChem CID 10578966) has the molecular formula C17H37Cl3O3Si2Sn and a molecular weight of 570.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
PubChem CID10578966
Molecular FormulaC17H37Cl3O3Si2Sn
Molecular Weight570.72 g/mol
Exact Mass570.04
IUPAC Nametert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](/C=C/C[Sn](Cl)(Cl)Cl)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H37O3Si2.3ClH.Sn/c1-10-11-16(14-20-22(8,9)17(2,3)4)19-15-18-12-13-21(5,6)7;;;;/h10-11,16H,1,12-15H2,2-9H3;3*1H;/q;;;;+3/p-3/b11-10+;;;;/t16-;;;;/m0..../s1
InChIKeyOWCXBIDTZNXGKH-OJIYQKSBSA-K
XLogP6.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.72
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane (CID 10578966) is tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H](/C=C/C[Sn](Cl)(Cl)Cl)OCOCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
The InChIKey is OWCXBIDTZNXGKH-OJIYQKSBSA-K. The full InChI is InChI=1S/C17H37O3Si2.3ClH.Sn/c1-10-11-16(14-20-22(8,9)17(2,3)4)19-15-18-12-13-21(5,6)7;;;;/h10-11,16H,1,12-15H2,2-9H3;3*1H;/q;;;;+3/p-3/b11-10+;;;;/t16-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane has a molecular weight of 570.72 g/mol, XLogP of 6.92, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-5-trichlorostannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane is sourced from PubChem (CID 10578966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).