tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane

C28H58N8Sn2 — CID 177399056

IUPACtributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)n1nnc(CCc2nnn([Sn](CCCC)(CCCC)CCCC)n2)n1
InChIInChI=1S/C4H4N8.6C4H9.2Sn/c1(3-5-9-10-6-3)2-4-7-11-12-8-4;6*1-3-4-2;;/h1-2H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1
InChIKeyATFSRHBDFZEVKG-UHFFFAOYSA-N
MW744.25 g/mol
LogP7.83
Rot. Bonds23

About tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane

tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane (PubChem CID 177399056) has the molecular formula C28H58N8Sn2 and a molecular weight of 744.25 g/mol. Its IUPAC name is tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane
PubChem CID177399056
Molecular FormulaC28H58N8Sn2
Molecular Weight744.25 g/mol
Exact Mass746.28
IUPAC Nametributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)n1nnc(CCc2nnn([Sn](CCCC)(CCCC)CCCC)n2)n1
InChIInChI=1S/C4H4N8.6C4H9.2Sn/c1(3-5-9-10-6-3)2-4-7-11-12-8-4;6*1-3-4-2;;/h1-2H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1
InChIKeyATFSRHBDFZEVKG-UHFFFAOYSA-N
XLogP7.83
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.25
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane?
The IUPAC name of tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane (CID 177399056) is tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane.
What is the SMILES notation for tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane?
The canonical SMILES for tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)n1nnc(CCc2nnn([Sn](CCCC)(CCCC)CCCC)n2)n1.
What is the InChIKey of tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane?
The InChIKey is ATFSRHBDFZEVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N8.6C4H9.2Sn/c1(3-5-9-10-6-3)2-4-7-11-12-8-4;6*1-3-4-2;;/h1-2H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1.
What are the key properties of tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane?
tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane has a molecular weight of 744.25 g/mol, XLogP of 7.83, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-[2-(2-tributylstannyltetrazol-5-yl)ethyl]tetrazol-2-yl]stannane is sourced from PubChem (CID 177399056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).