tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane

C19H34O2SSn — CID 15912351

IUPACtributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C2OCCO2)s1
InChIInChI=1S/C7H7O2S.3C4H9.Sn/c1-2-6(10-5-1)7-8-3-4-9-7;3*1-3-4-2;/h1-2,7H,3-4H2;3*1,3-4H2,2H3;
InChIKeyLPAWLMVOUBWAHW-UHFFFAOYSA-N
MW445.26 g/mol
LogP5.85
Rot. Bonds11

About tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane

tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane (PubChem CID 15912351) has the molecular formula C19H34O2SSn and a molecular weight of 445.26 g/mol. Its IUPAC name is tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane
PubChem CID15912351
Molecular FormulaC19H34O2SSn
Molecular Weight445.26 g/mol
Exact Mass446.13
IUPAC Nametributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C2OCCO2)s1
InChIInChI=1S/C7H7O2S.3C4H9.Sn/c1-2-6(10-5-1)7-8-3-4-9-7;3*1-3-4-2;/h1-2,7H,3-4H2;3*1,3-4H2,2H3;
InChIKeyLPAWLMVOUBWAHW-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.26
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane (CID 15912351) is tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(C2OCCO2)s1.
What is the InChIKey of tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane?
The InChIKey is LPAWLMVOUBWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2S.3C4H9.Sn/c1-2-6(10-5-1)7-8-3-4-9-7;3*1-3-4-2;/h1-2,7H,3-4H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane?
tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane has a molecular weight of 445.26 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane is sourced from PubChem (CID 15912351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).