tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane

C18H32O2SSn — CID 15891053

IUPACtributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1scc2c1OCCO2
InChIInChI=1S/C6H5O2S.3C4H9.Sn/c1-2-8-6-4-9-3-5(6)7-1;3*1-3-4-2;/h3H,1-2H2;3*1,3-4H2,2H3;
InChIKeySQRICDVGYLFTLO-UHFFFAOYSA-N
MW431.23 g/mol
LogP5.58
Rot. Bonds10

About tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane

tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane (PubChem CID 15891053) has the molecular formula C18H32O2SSn and a molecular weight of 431.23 g/mol. Its IUPAC name is tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane.

Molecular Properties

Compound Nametributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
PubChem CID15891053
Molecular FormulaC18H32O2SSn
Molecular Weight431.23 g/mol
Exact Mass432.11
IUPAC Nametributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1scc2c1OCCO2
InChIInChI=1S/C6H5O2S.3C4H9.Sn/c1-2-8-6-4-9-3-5(6)7-1;3*1-3-4-2;/h3H,1-2H2;3*1,3-4H2,2H3;
InChIKeySQRICDVGYLFTLO-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.23
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
The IUPAC name of tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane (CID 15891053) is tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane.
What is the SMILES notation for tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
The canonical SMILES for tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1scc2c1OCCO2.
What is the InChIKey of tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
The InChIKey is SQRICDVGYLFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O2S.3C4H9.Sn/c1-2-8-6-4-9-3-5(6)7-1;3*1-3-4-2;/h3H,1-2H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane has a molecular weight of 431.23 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane is sourced from PubChem (CID 15891053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).