dibenzyltin(2+);2-hydroxybutanedioate

C18H18O5Sn — CID 66765894

IUPACdibenzyltin(2+);2-hydroxybutanedioate
SMILESO=C([O-])CC(O)C(=O)[O-].c1ccc(C[Sn+2]Cc2ccccc2)cc1
InChIInChI=1S/2C7H7.C4H6O5.Sn/c2*1-7-5-3-2-4-6-7;5-2(4(8)9)1-3(6)7;/h2*2-6H,1H2;2,5H,1H2,(H,6,7)(H,8,9);/q;;;+2/p-2
InChIKeyDBSIZGKYJCLVOB-UHFFFAOYSA-L
MW433.05 g/mol
LogP-0.67
Rot. Bonds7

About dibenzyltin(2+);2-hydroxybutanedioate

dibenzyltin(2+);2-hydroxybutanedioate (PubChem CID 66765894) has the molecular formula C18H18O5Sn and a molecular weight of 433.05 g/mol. Its IUPAC name is dibenzyltin(2+);2-hydroxybutanedioate.

Molecular Properties

Compound Namedibenzyltin(2+);2-hydroxybutanedioate
PubChem CID66765894
Molecular FormulaC18H18O5Sn
Molecular Weight433.05 g/mol
Exact Mass434.02
IUPAC Namedibenzyltin(2+);2-hydroxybutanedioate
SMILESO=C([O-])CC(O)C(=O)[O-].c1ccc(C[Sn+2]Cc2ccccc2)cc1
InChIInChI=1S/2C7H7.C4H6O5.Sn/c2*1-7-5-3-2-4-6-7;5-2(4(8)9)1-3(6)7;/h2*2-6H,1H2;2,5H,1H2,(H,6,7)(H,8,9);/q;;;+2/p-2
InChIKeyDBSIZGKYJCLVOB-UHFFFAOYSA-L
XLogP-0.67
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.05
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-oxo-4-phenylmethoxybutanoate
CID 19803271
dibenzyltin(2+);(Z)-2,3-dimethylbut-2-enedioate
CID 22463063
disilver;2-hydroxybutanedioate
CID 14299093
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
cadmium(2+);2-hydroxybutanedioate
CID 87607349
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
calcium;hydron;bis(2-hydroxybutanedioate);dihydroxide
CID 162394401
2-hydroxy-3-phenylpropanoate;tetramethylazanium
CID 19018133
disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
CID 175410241
2-(2-phenylethyl)propanedioate
CID 21465102

Frequently Asked Questions

What is the IUPAC name of dibenzyltin(2+);2-hydroxybutanedioate?
The IUPAC name of dibenzyltin(2+);2-hydroxybutanedioate (CID 66765894) is dibenzyltin(2+);2-hydroxybutanedioate.
What is the SMILES notation for dibenzyltin(2+);2-hydroxybutanedioate?
The canonical SMILES for dibenzyltin(2+);2-hydroxybutanedioate is O=C([O-])CC(O)C(=O)[O-].c1ccc(C[Sn+2]Cc2ccccc2)cc1.
What is the InChIKey of dibenzyltin(2+);2-hydroxybutanedioate?
The InChIKey is DBSIZGKYJCLVOB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7.C4H6O5.Sn/c2*1-7-5-3-2-4-6-7;5-2(4(8)9)1-3(6)7;/h2*2-6H,1H2;2,5H,1H2,(H,6,7)(H,8,9);/q;;;+2/p-2.
What are the key properties of dibenzyltin(2+);2-hydroxybutanedioate?
dibenzyltin(2+);2-hydroxybutanedioate has a molecular weight of 433.05 g/mol, XLogP of -0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyltin(2+);2-hydroxybutanedioate is sourced from PubChem (CID 66765894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).