tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane

C21H36O3Sn — CID 22734375

IUPACtributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(OC)c2c1OCCO2
InChIInChI=1S/C9H9O3.3C4H9.Sn/c1-10-7-3-2-4-8-9(7)12-6-5-11-8;3*1-3-4-2;/h2-3H,5-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyTVEXEWMRVAZMNZ-UHFFFAOYSA-N
MW455.23 g/mol
LogP5.52
Rot. Bonds11

About tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane

tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane (PubChem CID 22734375) has the molecular formula C21H36O3Sn and a molecular weight of 455.23 g/mol. Its IUPAC name is tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane
PubChem CID22734375
Molecular FormulaC21H36O3Sn
Molecular Weight455.23 g/mol
Exact Mass456.17
IUPAC Nametributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(OC)c2c1OCCO2
InChIInChI=1S/C9H9O3.3C4H9.Sn/c1-10-7-3-2-4-8-9(7)12-6-5-11-8;3*1-3-4-2;/h2-3H,5-6H2,1H3;3*1,3-4H2,2H3;
InChIKeyTVEXEWMRVAZMNZ-UHFFFAOYSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.23
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane?
The IUPAC name of tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane (CID 22734375) is tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane.
What is the SMILES notation for tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane?
The canonical SMILES for tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(OC)c2c1OCCO2.
What is the InChIKey of tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane?
The InChIKey is TVEXEWMRVAZMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O3.3C4H9.Sn/c1-10-7-3-2-4-8-9(7)12-6-5-11-8;3*1-3-4-2;/h2-3H,5-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane?
tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane has a molecular weight of 455.23 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(8-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)stannane is sourced from PubChem (CID 22734375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).