trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane

C22H46N2OSiSn — CID 59164465

IUPACtrimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)nn1CCOC[Si](C)(C)C
InChIInChI=1S/C10H19N2OSi.3C4H9.Sn/c1-10-5-6-12(11-10)7-8-13-9-14(2,3)4;3*1-3-4-2;/h5H,7-9H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyZVLBCTCVJQEGAT-UHFFFAOYSA-N
MW501.42 g/mol
LogP6.14
Rot. Bonds15

About trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane

trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane (PubChem CID 59164465) has the molecular formula C22H46N2OSiSn and a molecular weight of 501.42 g/mol. Its IUPAC name is trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane
PubChem CID59164465
Molecular FormulaC22H46N2OSiSn
Molecular Weight501.42 g/mol
Exact Mass502.24
IUPAC Nametrimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)nn1CCOC[Si](C)(C)C
InChIInChI=1S/C10H19N2OSi.3C4H9.Sn/c1-10-5-6-12(11-10)7-8-13-9-14(2,3)4;3*1-3-4-2;/h5H,7-9H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyZVLBCTCVJQEGAT-UHFFFAOYSA-N
XLogP6.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane?
The IUPAC name of trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane (CID 59164465) is trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane.
What is the SMILES notation for trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane?
The canonical SMILES for trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane is CCCC[Sn](CCCC)(CCCC)c1cc(C)nn1CCOC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane?
The InChIKey is ZVLBCTCVJQEGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2OSi.3C4H9.Sn/c1-10-5-6-12(11-10)7-8-13-9-14(2,3)4;3*1-3-4-2;/h5H,7-9H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane?
trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane has a molecular weight of 501.42 g/mol, XLogP of 6.14, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-methyl-5-tributylstannylpyrazol-1-yl)ethoxymethyl]silane is sourced from PubChem (CID 59164465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).