trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane

C29H55N3OSi2Sn — CID 22031298

IUPACtrimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2nnn(COCC[Si](C)(C)C)c2[Si](C)(C)C)cc1
InChIInChI=1S/C17H28N3OSi2.3C4H9.Sn/c1-22(2,3)13-12-21-14-20-17(23(4,5)6)16(18-19-20)15-10-8-7-9-11-15;3*1-3-4-2;/h8-11H,12-14H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyWQGCFKFAWXONEL-UHFFFAOYSA-N
MW636.66 g/mol
LogP7.86
Rot. Bonds17

About trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane

trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane (PubChem CID 22031298) has the molecular formula C29H55N3OSi2Sn and a molecular weight of 636.66 g/mol. Its IUPAC name is trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane
PubChem CID22031298
Molecular FormulaC29H55N3OSi2Sn
Molecular Weight636.66 g/mol
Exact Mass637.29
IUPAC Nametrimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2nnn(COCC[Si](C)(C)C)c2[Si](C)(C)C)cc1
InChIInChI=1S/C17H28N3OSi2.3C4H9.Sn/c1-22(2,3)13-12-21-14-20-17(23(4,5)6)16(18-19-20)15-10-8-7-9-11-15;3*1-3-4-2;/h8-11H,12-14H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyWQGCFKFAWXONEL-UHFFFAOYSA-N
XLogP7.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.66
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-4-tributylstannylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 175449028
trimethyl-[2-[(5-tributylstannylimidazol-1-yl)methoxy]ethyl]silane
CID 171532445
trimethyl-[2-[(3-tributylstannylindol-1-yl)methoxy]ethyl]silane
CID 177464058
tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane
CID 86095429
trimethyl-[2-[(2-tributylstannyl-3-pyridinyl)oxymethoxy]ethyl]silane
CID 175958741
methyl 5-(4-bromophenoxy)-1-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156635103
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 168730347
2-[(4-butylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71485604
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
2-[[5-(bromomethyl)benzotriazol-1-yl]methoxy]ethyl-trimethylsilane
CID 172723954

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane?
The IUPAC name of trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane (CID 22031298) is trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane.
What is the SMILES notation for trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane?
The canonical SMILES for trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2nnn(COCC[Si](C)(C)C)c2[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane?
The InChIKey is WQGCFKFAWXONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N3OSi2.3C4H9.Sn/c1-22(2,3)13-12-21-14-20-17(23(4,5)6)16(18-19-20)15-10-8-7-9-11-15;3*1-3-4-2;/h8-11H,12-14H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane?
trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane has a molecular weight of 636.66 g/mol, XLogP of 7.86, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(4-tributylstannylphenyl)-3-(2-trimethylsilylethoxymethyl)triazol-4-yl]silane is sourced from PubChem (CID 22031298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).