tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane

C24H52O3SiSn — CID 10626162

IUPACtert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C/CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C12H25O3Si.3C4H9.Sn/c1-12(2,3)16(5,6)15-10-8-7-9-14-11-13-4;3*1-3-4-2;/h7-9H,10-11H2,1-6H3;3*1,3-4H2,2H3;/b8-7+;;;;
InChIKeyKSRRVARKILCECQ-YZNHWISSSA-N
MW535.47 g/mol
LogP7.94
Rot. Bonds17

About tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane

tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane (PubChem CID 10626162) has the molecular formula C24H52O3SiSn and a molecular weight of 535.47 g/mol. Its IUPAC name is tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane
PubChem CID10626162
Molecular FormulaC24H52O3SiSn
Molecular Weight535.47 g/mol
Exact Mass536.27
IUPAC Nametert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C/CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C12H25O3Si.3C4H9.Sn/c1-12(2,3)16(5,6)15-10-8-7-9-14-11-13-4;3*1-3-4-2;/h7-9H,10-11H2,1-6H3;3*1,3-4H2,2H3;/b8-7+;;;;
InChIKeyKSRRVARKILCECQ-YZNHWISSSA-N
XLogP7.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.47
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane (CID 10626162) is tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane is CCCC[Sn](CCCC)(CCCC)C(/C=C/CO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane?
The InChIKey is KSRRVARKILCECQ-YZNHWISSSA-N. The full InChI is InChI=1S/C12H25O3Si.3C4H9.Sn/c1-12(2,3)16(5,6)15-10-8-7-9-14-11-13-4;3*1-3-4-2;/h7-9H,10-11H2,1-6H3;3*1,3-4H2,2H3;/b8-7+;;;;.
What are the key properties of tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane has a molecular weight of 535.47 g/mol, XLogP of 7.94, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-(methoxymethoxy)-4-tributylstannylbut-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10626162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).