dibutyltin(2+);bis(2-naphthalen-1-ylacetate)

C32H36O4Sn — CID 175280639

IUPACdibutyltin(2+);bis(2-naphthalen-1-ylacetate)
SMILESCCCC[Sn+2]CCCC.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12
InChIInChI=1S/2C12H10O2.2C4H9.Sn/c2*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-3-4-2;/h2*1-7H,8H2,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyQGHPIILTDIFEJS-UHFFFAOYSA-L
MW603.35 g/mol
LogP5.39
Rot. Bonds10

About dibutyltin(2+);bis(2-naphthalen-1-ylacetate)

dibutyltin(2+);bis(2-naphthalen-1-ylacetate) (PubChem CID 175280639) has the molecular formula C32H36O4Sn and a molecular weight of 603.35 g/mol. Its IUPAC name is dibutyltin(2+);bis(2-naphthalen-1-ylacetate).

Molecular Properties

Compound Namedibutyltin(2+);bis(2-naphthalen-1-ylacetate)
PubChem CID175280639
Molecular FormulaC32H36O4Sn
Molecular Weight603.35 g/mol
Exact Mass604.16
IUPAC Namedibutyltin(2+);bis(2-naphthalen-1-ylacetate)
SMILESCCCC[Sn+2]CCCC.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12
InChIInChI=1S/2C12H10O2.2C4H9.Sn/c2*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-3-4-2;/h2*1-7H,8H2,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyQGHPIILTDIFEJS-UHFFFAOYSA-L
XLogP5.39
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
1-butyl-3-methylimidazol-3-ium;2-naphthalen-1-ylacetate
CID 86644516
dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
CID 139066806
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
1-naphthalen-1-ylbutan-2-one
CID 4564544
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
bis(2-aminobenzoate);dibutyltin(2+)
CID 22925318
1-butylnaphthalene;ethane
CID 142087052
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-pentylnaphthalene;sulfuric acid
CID 172842201

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);bis(2-naphthalen-1-ylacetate)?
The IUPAC name of dibutyltin(2+);bis(2-naphthalen-1-ylacetate) (CID 175280639) is dibutyltin(2+);bis(2-naphthalen-1-ylacetate).
What is the SMILES notation for dibutyltin(2+);bis(2-naphthalen-1-ylacetate)?
The canonical SMILES for dibutyltin(2+);bis(2-naphthalen-1-ylacetate) is CCCC[Sn+2]CCCC.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.
What is the InChIKey of dibutyltin(2+);bis(2-naphthalen-1-ylacetate)?
The InChIKey is QGHPIILTDIFEJS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10O2.2C4H9.Sn/c2*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-3-4-2;/h2*1-7H,8H2,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of dibutyltin(2+);bis(2-naphthalen-1-ylacetate)?
dibutyltin(2+);bis(2-naphthalen-1-ylacetate) has a molecular weight of 603.35 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(2-naphthalen-1-ylacetate) is sourced from PubChem (CID 175280639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).