tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane

C21H37NO2Sn — CID 11518123

IUPACtributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C2(C)OCCO2)n1
InChIInChI=1S/C9H10NO2.3C4H9.Sn/c1-9(11-6-7-12-9)8-4-2-3-5-10-8;3*1-3-4-2;/h2-4H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyCXSMEIXXCAJQON-UHFFFAOYSA-N
MW454.24 g/mol
LogP5.36
Rot. Bonds11

About tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane

tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane (PubChem CID 11518123) has the molecular formula C21H37NO2Sn and a molecular weight of 454.24 g/mol. Its IUPAC name is tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane.

Molecular Properties

Compound Nametributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane
PubChem CID11518123
Molecular FormulaC21H37NO2Sn
Molecular Weight454.24 g/mol
Exact Mass455.18
IUPAC Nametributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C2(C)OCCO2)n1
InChIInChI=1S/C9H10NO2.3C4H9.Sn/c1-9(11-6-7-12-9)8-4-2-3-5-10-8;3*1-3-4-2;/h2-4H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyCXSMEIXXCAJQON-UHFFFAOYSA-N
XLogP5.36
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane?
The IUPAC name of tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane (CID 11518123) is tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane.
What is the SMILES notation for tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane?
The canonical SMILES for tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(C2(C)OCCO2)n1.
What is the InChIKey of tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane?
The InChIKey is CXSMEIXXCAJQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.3C4H9.Sn/c1-9(11-6-7-12-9)8-4-2-3-5-10-8;3*1-3-4-2;/h2-4H,6-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane?
tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane has a molecular weight of 454.24 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]stannane is sourced from PubChem (CID 11518123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).