tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane

C25H50N2OSiSn — CID 171062294

IUPACtert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)ncn1
InChIInChI=1S/C13H23N2OSi.3C4H9.Sn/c1-11(9-12-7-8-14-10-15-12)16-17(5,6)13(2,3)4;3*1-3-4-2;/h7,10-11H,9H2,1-6H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1
InChIKeyXOWOIWRJXOZNIT-HZAYLZKLSA-N
MW541.49 g/mol
LogP7.49
Rot. Bonds14

About tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane (PubChem CID 171062294) has the molecular formula C25H50N2OSiSn and a molecular weight of 541.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane
PubChem CID171062294
Molecular FormulaC25H50N2OSiSn
Molecular Weight541.49 g/mol
Exact Mass542.27
IUPAC Nametert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)ncn1
InChIInChI=1S/C13H23N2OSi.3C4H9.Sn/c1-11(9-12-7-8-14-10-15-12)16-17(5,6)13(2,3)4;3*1-3-4-2;/h7,10-11H,9H2,1-6H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1
InChIKeyXOWOIWRJXOZNIT-HZAYLZKLSA-N
XLogP7.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.49
LogP ≤ 57.49
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-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane (CID 171062294) is tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane is CCCC[Sn](CCCC)(CCCC)c1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)ncn1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane?
The InChIKey is XOWOIWRJXOZNIT-HZAYLZKLSA-N. The full InChI is InChI=1S/C13H23N2OSi.3C4H9.Sn/c1-11(9-12-7-8-14-10-15-12)16-17(5,6)13(2,3)4;3*1-3-4-2;/h7,10-11H,9H2,1-6H3;3*1,3-4H2,2H3;/t11-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane has a molecular weight of 541.49 g/mol, XLogP of 7.49, 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)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane is sourced from PubChem (CID 171062294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).