tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane

C46H82O4S2Sn2 — CID 10606018

IUPACtributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCOC2CCCCO2)c(-c2sc([Sn](CCCC)(CCCC)CCCC)cc2CCOC2CCCCO2)s1
InChIInChI=1S/C22H28O4S2.6C4H9.2Sn/c1-3-11-23-19(5-1)25-13-7-17-9-15-27-21(17)22-18(10-16-28-22)8-14-26-20-6-2-4-12-24-20;6*1-3-4-2;;/h9-10,19-20H,1-8,11-14H2;6*1,3-4H2,2H3;;
InChIKeyGPTLKFXYGHBFHH-UHFFFAOYSA-N
MW1000.71 g/mol
LogP13.76
Rot. Bonds29

About tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane

tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane (PubChem CID 10606018) has the molecular formula C46H82O4S2Sn2 and a molecular weight of 1000.71 g/mol. Its IUPAC name is tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane
PubChem CID10606018
Molecular FormulaC46H82O4S2Sn2
Molecular Weight1000.71 g/mol
Exact Mass1002.37
IUPAC Nametributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCOC2CCCCO2)c(-c2sc([Sn](CCCC)(CCCC)CCCC)cc2CCOC2CCCCO2)s1
InChIInChI=1S/C22H28O4S2.6C4H9.2Sn/c1-3-11-23-19(5-1)25-13-7-17-9-15-27-21(17)22-18(10-16-28-22)8-14-26-20-6-2-4-12-24-20;6*1-3-4-2;;/h9-10,19-20H,1-8,11-14H2;6*1,3-4H2,2H3;;
InChIKeyGPTLKFXYGHBFHH-UHFFFAOYSA-N
XLogP13.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.71
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane?
The IUPAC name of tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane (CID 10606018) is tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc(CCOC2CCCCO2)c(-c2sc([Sn](CCCC)(CCCC)CCCC)cc2CCOC2CCCCO2)s1.
What is the InChIKey of tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane?
The InChIKey is GPTLKFXYGHBFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4S2.6C4H9.2Sn/c1-3-11-23-19(5-1)25-13-7-17-9-15-27-21(17)22-18(10-16-28-22)8-14-26-20-6-2-4-12-24-20;6*1-3-4-2;;/h9-10,19-20H,1-8,11-14H2;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane?
tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane has a molecular weight of 1000.71 g/mol, XLogP of 13.76, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane is sourced from PubChem (CID 10606018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).