tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane

C24H48N2OSiSn — CID 171062440

IUPACtert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCO[Si](C)(C)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N2OSi.3C4H9.Sn/c1-12(2,3)16(4,5)15-9-7-11-6-8-13-10-14-11;3*1-3-4-2;/h6,10H,7,9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyZZCVNKOXPIGISN-UHFFFAOYSA-N
MW527.46 g/mol
LogP7.10
Rot. Bonds14

About tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane (PubChem CID 171062440) has the molecular formula C24H48N2OSiSn and a molecular weight of 527.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane
PubChem CID171062440
Molecular FormulaC24H48N2OSiSn
Molecular Weight527.46 g/mol
Exact Mass528.26
IUPAC Nametert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCO[Si](C)(C)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N2OSi.3C4H9.Sn/c1-12(2,3)16(4,5)15-9-7-11-6-8-13-10-14-11;3*1-3-4-2;/h6,10H,7,9H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyZZCVNKOXPIGISN-UHFFFAOYSA-N
XLogP7.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.46
LogP ≤ 57.10
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-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane (CID 171062440) is tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane is CCCC[Sn](CCCC)(CCCC)c1cc(CCO[Si](C)(C)C(C)(C)C)ncn1.
What is the InChIKey of tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane?
The InChIKey is ZZCVNKOXPIGISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2OSi.3C4H9.Sn/c1-12(2,3)16(4,5)15-9-7-11-6-8-13-10-14-11;3*1-3-4-2;/h6,10H,7,9H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane has a molecular weight of 527.46 g/mol, XLogP of 7.10, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane is sourced from PubChem (CID 171062440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).