[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate

C24H48O4Sn — CID 16682803

IUPAC[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
InChIInChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyGPDWNEFHGANACG-UHFFFAOYSA-L
MW519.36 g/mol
LogP7.55
Rot. Bonds18

About [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate

[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate (PubChem CID 16682803) has the molecular formula C24H48O4Sn and a molecular weight of 519.36 g/mol. Its IUPAC name is [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate.

Molecular Properties

Compound Name[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
PubChem CID16682803
Molecular FormulaC24H48O4Sn
Molecular Weight519.36 g/mol
Exact Mass520.26
IUPAC Name[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
InChIInChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyGPDWNEFHGANACG-UHFFFAOYSA-L
XLogP7.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.36
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
The IUPAC name of [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate (CID 16682803) is [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate.
What is the SMILES notation for [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
The canonical SMILES for [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate is CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC.
What is the InChIKey of [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
The InChIKey is GPDWNEFHGANACG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate has a molecular weight of 519.36 g/mol, XLogP of 7.55, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate is sourced from PubChem (CID 16682803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).