tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane

C28H51NOSiSn — CID 155641238

IUPACtert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccnc1C#CC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24NOSi.3C4H9.Sn/c1-15(2,3)19(6,7)18-16(4,5)12-11-14-10-8-9-13-17-14;3*1-3-4-2;/h8-9,13H,1-7H3;3*1,3-4H2,2H3;
InChIKeyGGLFKZKVAULRMN-UHFFFAOYSA-N
MW564.52 g/mol
LogP8.29
Rot. Bonds12

About tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane

tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane (PubChem CID 155641238) has the molecular formula C28H51NOSiSn and a molecular weight of 564.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane
PubChem CID155641238
Molecular FormulaC28H51NOSiSn
Molecular Weight564.52 g/mol
Exact Mass565.28
IUPAC Nametert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccnc1C#CC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24NOSi.3C4H9.Sn/c1-15(2,3)19(6,7)18-16(4,5)12-11-14-10-8-9-13-17-14;3*1-3-4-2;/h8-9,13H,1-7H3;3*1,3-4H2,2H3;
InChIKeyGGLFKZKVAULRMN-UHFFFAOYSA-N
XLogP8.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.52
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane (CID 155641238) is tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane is CCCC[Sn](CCCC)(CCCC)c1cccnc1C#CC(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane?
The InChIKey is GGLFKZKVAULRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NOSi.3C4H9.Sn/c1-15(2,3)19(6,7)18-16(4,5)12-11-14-10-8-9-13-17-14;3*1-3-4-2;/h8-9,13H,1-7H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane has a molecular weight of 564.52 g/mol, XLogP of 8.29, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-4-(3-tributylstannyl-2-pyridinyl)but-3-yn-2-yl]oxysilane is sourced from PubChem (CID 155641238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).