tributyl-[butyl(dipentoxy)stannyl]oxystannane

C26H58O3Sn2 — CID 87861161

IUPACtributyl-[butyl(dipentoxy)stannyl]oxystannane
SMILESCCCCCO[Sn](CCCC)(OCCCCC)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/2C5H11O.4C4H9.O.2Sn/c2*1-2-3-4-5-6;4*1-3-4-2;;;/h2*2-5H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;;+2
InChIKeyQJTBPUVZHTWFEV-UHFFFAOYSA-N
MW656.17 g/mol
LogP9.50
Rot. Bonds24

About tributyl-[butyl(dipentoxy)stannyl]oxystannane

tributyl-[butyl(dipentoxy)stannyl]oxystannane (PubChem CID 87861161) has the molecular formula C26H58O3Sn2 and a molecular weight of 656.17 g/mol. Its IUPAC name is tributyl-[butyl(dipentoxy)stannyl]oxystannane.

Molecular Properties

Compound Nametributyl-[butyl(dipentoxy)stannyl]oxystannane
PubChem CID87861161
Molecular FormulaC26H58O3Sn2
Molecular Weight656.17 g/mol
Exact Mass658.24
IUPAC Nametributyl-[butyl(dipentoxy)stannyl]oxystannane
SMILESCCCCCO[Sn](CCCC)(OCCCCC)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/2C5H11O.4C4H9.O.2Sn/c2*1-2-3-4-5-6;4*1-3-4-2;;;/h2*2-5H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;;+2
InChIKeyQJTBPUVZHTWFEV-UHFFFAOYSA-N
XLogP9.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.17
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-ethyl-heptoxystannane
CID 87371470
dibutyl-ethyl-nonoxystannane
CID 87372414
trioctyl(pentoxy)stannane
CID 87643879
dibutyl-[dibutyl(dodecyl)stannyl]oxy-dodecylstannane
CID 18432072
butyl-(butyl-methyl-pentoxystannyl)oxy-methyl-pentoxystannane
CID 23115045
diethyl-hexoxy-octylstannane
CID 149251797
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
dibutyl-di(nonoxy)stannane
CID 87642820
butyl-(butyl-methyl-nonoxystannyl)oxy-methyl-nonoxystannane
CID 23115062
decoxy-[decoxy(dimethyl)stannyl]oxy-dimethylstannane
CID 23073861
N-methyl-3-tributoxystannylpropan-1-amine
CID 139813007
(butyl-prop-2-enoyloxy-tributylstannyloxystannyl) prop-2-enoate
CID 87864364

Frequently Asked Questions

What is the IUPAC name of tributyl-[butyl(dipentoxy)stannyl]oxystannane?
The IUPAC name of tributyl-[butyl(dipentoxy)stannyl]oxystannane (CID 87861161) is tributyl-[butyl(dipentoxy)stannyl]oxystannane.
What is the SMILES notation for tributyl-[butyl(dipentoxy)stannyl]oxystannane?
The canonical SMILES for tributyl-[butyl(dipentoxy)stannyl]oxystannane is CCCCCO[Sn](CCCC)(OCCCCC)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[butyl(dipentoxy)stannyl]oxystannane?
The InChIKey is QJTBPUVZHTWFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11O.4C4H9.O.2Sn/c2*1-2-3-4-5-6;4*1-3-4-2;;;/h2*2-5H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;;+2.
What are the key properties of tributyl-[butyl(dipentoxy)stannyl]oxystannane?
tributyl-[butyl(dipentoxy)stannyl]oxystannane has a molecular weight of 656.17 g/mol, XLogP of 9.50, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[butyl(dipentoxy)stannyl]oxystannane is sourced from PubChem (CID 87861161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).