dibutyltin(2+);bis(3-oxobutanoate)

C16H28O6Sn — CID 22571283

IUPACdibutyltin(2+);bis(3-oxobutanoate)
SMILESCC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/2C4H6O3.2C4H9.Sn/c2*1-3(5)2-4(6)7;2*1-3-4-2;/h2*2H2,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyDIEUSOPNGAEVNO-UHFFFAOYSA-L
MW435.11 g/mol
LogP0.56
Rot. Bonds10

About dibutyltin(2+);bis(3-oxobutanoate)

dibutyltin(2+);bis(3-oxobutanoate) (PubChem CID 22571283) has the molecular formula C16H28O6Sn and a molecular weight of 435.11 g/mol. Its IUPAC name is dibutyltin(2+);bis(3-oxobutanoate).

Molecular Properties

Compound Namedibutyltin(2+);bis(3-oxobutanoate)
PubChem CID22571283
Molecular FormulaC16H28O6Sn
Molecular Weight435.11 g/mol
Exact Mass436.09
IUPAC Namedibutyltin(2+);bis(3-oxobutanoate)
SMILESCC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/2C4H6O3.2C4H9.Sn/c2*1-3(5)2-4(6)7;2*1-3-4-2;/h2*2H2,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyDIEUSOPNGAEVNO-UHFFFAOYSA-L
XLogP0.56
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.11
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dibutyltin(2+);dioctyltin(2+);bis(dodecanoate);diacetate
CID 162006302
bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
CID 160581451
bis(3-oxobutanoate);propylaluminum(2+)
CID 175370706
barium(2+);bis(3-oxobutanoate)
CID 87577047
hexakis(3-oxobutanoate);tungsten
CID 173116333
nickel(2+);3-oxobutanoate
CID 22242614
tris(3-oxobutanoate);vanadium
CID 14671412
dibutyltin(2+);2,4-dioxopentanoate;2-ethyl-3-oxobutanoate
CID 23184164
dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);bis(octadecanoate);tin(4+)
CID 159975771
dioctyltin(2+);bis(3-oxohexanoate)
CID 158688207

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);bis(3-oxobutanoate)?
The IUPAC name of dibutyltin(2+);bis(3-oxobutanoate) (CID 22571283) is dibutyltin(2+);bis(3-oxobutanoate).
What is the SMILES notation for dibutyltin(2+);bis(3-oxobutanoate)?
The canonical SMILES for dibutyltin(2+);bis(3-oxobutanoate) is CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CCCC[Sn+2]CCCC.
What is the InChIKey of dibutyltin(2+);bis(3-oxobutanoate)?
The InChIKey is DIEUSOPNGAEVNO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O3.2C4H9.Sn/c2*1-3(5)2-4(6)7;2*1-3-4-2;/h2*2H2,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of dibutyltin(2+);bis(3-oxobutanoate)?
dibutyltin(2+);bis(3-oxobutanoate) has a molecular weight of 435.11 g/mol, XLogP of 0.56, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(3-oxobutanoate) is sourced from PubChem (CID 22571283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).