tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane

C26H52O3SiSn — CID 134885146

IUPACtert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane
SMILESCCCC[Sn](C#CCO[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1)(CCCC)CCCC
InChIInChI=1S/C14H25O3Si.3C4H9.Sn/c1-7-10-15-13-9-8-12(17-13)11-16-18(5,6)14(2,3)4;3*1-3-4-2;/h12-13H,8-11H2,2-6H3;3*1,3-4H2,2H3;/t12-,13+;;;;/m0..../s1
InChIKeyFOQOWBDHMWGONO-FAUPVZFVSA-N
MW559.50 g/mol
LogP7.92
Rot. Bonds14

About tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane (PubChem CID 134885146) has the molecular formula C26H52O3SiSn and a molecular weight of 559.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane
PubChem CID134885146
Molecular FormulaC26H52O3SiSn
Molecular Weight559.50 g/mol
Exact Mass560.27
IUPAC Nametert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane
SMILESCCCC[Sn](C#CCO[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1)(CCCC)CCCC
InChIInChI=1S/C14H25O3Si.3C4H9.Sn/c1-7-10-15-13-9-8-12(17-13)11-16-18(5,6)14(2,3)4;3*1-3-4-2;/h12-13H,8-11H2,2-6H3;3*1,3-4H2,2H3;/t12-,13+;;;;/m0..../s1
InChIKeyFOQOWBDHMWGONO-FAUPVZFVSA-N
XLogP7.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.50
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane (CID 134885146) is tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane is CCCC[Sn](C#CCO[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane?
The InChIKey is FOQOWBDHMWGONO-FAUPVZFVSA-N. The full InChI is InChI=1S/C14H25O3Si.3C4H9.Sn/c1-7-10-15-13-9-8-12(17-13)11-16-18(5,6)14(2,3)4;3*1-3-4-2;/h12-13H,8-11H2,2-6H3;3*1,3-4H2,2H3;/t12-,13+;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane has a molecular weight of 559.50 g/mol, XLogP of 7.92, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,5R)-5-(3-tributylstannylprop-2-ynoxy)oxolan-2-yl]methoxy]silane is sourced from PubChem (CID 134885146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).