2-ethylbutoxy(trioctyl)stannane

C30H64OSn — CID 87372569

IUPAC2-ethylbutoxy(trioctyl)stannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OCC(CC)CC
InChIInChI=1S/3C8H17.C6H13O.Sn/c3*1-3-5-7-8-6-4-2;1-3-6(4-2)5-7;/h3*1,3-8H2,2H3;6H,3-5H2,1-2H3;/q;;;-1;+1
InChIKeyCYCYPDOMYGAKPA-UHFFFAOYSA-N
MW559.55 g/mol
LogP11.47
Rot. Bonds26

About 2-ethylbutoxy(trioctyl)stannane

2-ethylbutoxy(trioctyl)stannane (PubChem CID 87372569) has the molecular formula C30H64OSn and a molecular weight of 559.55 g/mol. Its IUPAC name is 2-ethylbutoxy(trioctyl)stannane.

Molecular Properties

Compound Name2-ethylbutoxy(trioctyl)stannane
PubChem CID87372569
Molecular FormulaC30H64OSn
Molecular Weight559.55 g/mol
Exact Mass560.40
IUPAC Name2-ethylbutoxy(trioctyl)stannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OCC(CC)CC
InChIInChI=1S/3C8H17.C6H13O.Sn/c3*1-3-5-7-8-6-4-2;1-3-6(4-2)5-7;/h3*1,3-8H2,2H3;6H,3-5H2,1-2H3;/q;;;-1;+1
InChIKeyCYCYPDOMYGAKPA-UHFFFAOYSA-N
XLogP11.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.55
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trioctyl(pentoxy)stannane
CID 87643879
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
dibutyl-[dibutyl(dodecyl)stannyl]oxy-dodecylstannane
CID 18432072
1-(2-ethylbutoxy)decane
CID 22002893
diethyl-hexoxy-octylstannane
CID 149251797
methoxymethane;undecane
CID 174775722
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutoxy(trioctyl)stannane?
The IUPAC name of 2-ethylbutoxy(trioctyl)stannane (CID 87372569) is 2-ethylbutoxy(trioctyl)stannane.
What is the SMILES notation for 2-ethylbutoxy(trioctyl)stannane?
The canonical SMILES for 2-ethylbutoxy(trioctyl)stannane is CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OCC(CC)CC.
What is the InChIKey of 2-ethylbutoxy(trioctyl)stannane?
The InChIKey is CYCYPDOMYGAKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.C6H13O.Sn/c3*1-3-5-7-8-6-4-2;1-3-6(4-2)5-7;/h3*1,3-8H2,2H3;6H,3-5H2,1-2H3;/q;;;-1;+1.
What are the key properties of 2-ethylbutoxy(trioctyl)stannane?
2-ethylbutoxy(trioctyl)stannane has a molecular weight of 559.55 g/mol, XLogP of 11.47, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutoxy(trioctyl)stannane is sourced from PubChem (CID 87372569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).