tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane

C32H66N8Sn2 — CID 177385482

IUPACtributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)n1nnc(CCCCCCc2nnn([Sn](CCCC)(CCCC)CCCC)n2)n1
InChIInChI=1S/C8H12N8.6C4H9.2Sn/c1(3-5-7-9-13-14-10-7)2-4-6-8-11-15-16-12-8;6*1-3-4-2;;/h1-6H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1
InChIKeyRFKYIRLQZOQQGL-UHFFFAOYSA-N
MW800.36 g/mol
LogP9.39
Rot. Bonds27

About tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane

tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane (PubChem CID 177385482) has the molecular formula C32H66N8Sn2 and a molecular weight of 800.36 g/mol. Its IUPAC name is tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
PubChem CID177385482
Molecular FormulaC32H66N8Sn2
Molecular Weight800.36 g/mol
Exact Mass802.35
IUPAC Nametributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)n1nnc(CCCCCCc2nnn([Sn](CCCC)(CCCC)CCCC)n2)n1
InChIInChI=1S/C8H12N8.6C4H9.2Sn/c1(3-5-7-9-13-14-10-7)2-4-6-8-11-15-16-12-8;6*1-3-4-2;;/h1-6H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1
InChIKeyRFKYIRLQZOQQGL-UHFFFAOYSA-N
XLogP9.39
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.36
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane?
The IUPAC name of tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane (CID 177385482) is tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane.
What is the SMILES notation for tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane?
The canonical SMILES for tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)n1nnc(CCCCCCc2nnn([Sn](CCCC)(CCCC)CCCC)n2)n1.
What is the InChIKey of tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane?
The InChIKey is RFKYIRLQZOQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8.6C4H9.2Sn/c1(3-5-7-9-13-14-10-7)2-4-6-8-11-15-16-12-8;6*1-3-4-2;;/h1-6H2;6*1,3-4H2,2H3;;/q-2;;;;;;;2*+1.
What are the key properties of tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane?
tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane has a molecular weight of 800.36 g/mol, XLogP of 9.39, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane is sourced from PubChem (CID 177385482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).