tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane

C20H37NO2Sn — CID 67054806

IUPACtributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(COCOC)n1
InChIInChI=1S/C8H10NO2.3C4H9.Sn/c1-10-7-11-6-8-4-2-3-5-9-8;3*1-3-4-2;/h2-4H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyGJOJTCLDNHXJPA-UHFFFAOYSA-N
MW442.23 g/mol
LogP5.26
Rot. Bonds14

About tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane

tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane (PubChem CID 67054806) has the molecular formula C20H37NO2Sn and a molecular weight of 442.23 g/mol. Its IUPAC name is tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane.

Molecular Properties

Compound Nametributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane
PubChem CID67054806
Molecular FormulaC20H37NO2Sn
Molecular Weight442.23 g/mol
Exact Mass443.18
IUPAC Nametributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(COCOC)n1
InChIInChI=1S/C8H10NO2.3C4H9.Sn/c1-10-7-11-6-8-4-2-3-5-9-8;3*1-3-4-2;/h2-4H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyGJOJTCLDNHXJPA-UHFFFAOYSA-N
XLogP5.26
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.23
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane?
The IUPAC name of tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane (CID 67054806) is tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane.
What is the SMILES notation for tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane?
The canonical SMILES for tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(COCOC)n1.
What is the InChIKey of tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane?
The InChIKey is GJOJTCLDNHXJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2.3C4H9.Sn/c1-10-7-11-6-8-4-2-3-5-9-8;3*1-3-4-2;/h2-4H,6-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane?
tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane has a molecular weight of 442.23 g/mol, XLogP of 5.26, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane is sourced from PubChem (CID 67054806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).