dibutyltin;2,3-diethoxybutanedioic acid

C16H32O6Sn — CID 159171014

IUPACdibutyltin;2,3-diethoxybutanedioic acid
SMILESCCCC[Sn]CCCC.CCOC(C(=O)O)C(OCC)C(=O)O
InChIInChI=1S/C8H14O6.2C4H9.Sn/c1-3-13-5(7(9)10)6(8(11)12)14-4-2;2*1-3-4-2;/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;
InChIKeyKLROHTYJXGJAOO-UHFFFAOYSA-N
MW439.14 g/mol
LogP3.09
Rot. Bonds13

About dibutyltin;2,3-diethoxybutanedioic acid

dibutyltin;2,3-diethoxybutanedioic acid (PubChem CID 159171014) has the molecular formula C16H32O6Sn and a molecular weight of 439.14 g/mol. Its IUPAC name is dibutyltin;2,3-diethoxybutanedioic acid.

Molecular Properties

Compound Namedibutyltin;2,3-diethoxybutanedioic acid
PubChem CID159171014
Molecular FormulaC16H32O6Sn
Molecular Weight439.14 g/mol
Exact Mass440.12
IUPAC Namedibutyltin;2,3-diethoxybutanedioic acid
SMILESCCCC[Sn]CCCC.CCOC(C(=O)O)C(OCC)C(=O)O
InChIInChI=1S/C8H14O6.2C4H9.Sn/c1-3-13-5(7(9)10)6(8(11)12)14-4-2;2*1-3-4-2;/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;
InChIKeyKLROHTYJXGJAOO-UHFFFAOYSA-N
XLogP3.09
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.14
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;bis(dibutyltin);hydrate
CID 173025029
(Z)-but-2-enedioic acid;dibutyltin;hydron
CID 175099515
dibutyltin;2-hydroxyacetic acid
CID 87134972
dibutyltin
CID 6484
potassium;dibutyltin;2-ethylhexanoic acid;hydride
CID 173413923
dibutyltin;diethyl (Z)-but-2-enedioate
CID 87233994
2,3-diethoxybutanedioic acid;2-(methylamino)acetic acid
CID 175782236
2-acetyl-3-oxobutanoic acid;dioctyltin
CID 174495753
dibutyltin;bis(ethyl hexanoate)
CID 87061264
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;methane
CID 158142869
dibutyltin;silane
CID 163880557

Frequently Asked Questions

What is the IUPAC name of dibutyltin;2,3-diethoxybutanedioic acid?
The IUPAC name of dibutyltin;2,3-diethoxybutanedioic acid (CID 159171014) is dibutyltin;2,3-diethoxybutanedioic acid.
What is the SMILES notation for dibutyltin;2,3-diethoxybutanedioic acid?
The canonical SMILES for dibutyltin;2,3-diethoxybutanedioic acid is CCCC[Sn]CCCC.CCOC(C(=O)O)C(OCC)C(=O)O.
What is the InChIKey of dibutyltin;2,3-diethoxybutanedioic acid?
The InChIKey is KLROHTYJXGJAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6.2C4H9.Sn/c1-3-13-5(7(9)10)6(8(11)12)14-4-2;2*1-3-4-2;/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;2,3-diethoxybutanedioic acid?
dibutyltin;2,3-diethoxybutanedioic acid has a molecular weight of 439.14 g/mol, XLogP of 3.09, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;2,3-diethoxybutanedioic acid is sourced from PubChem (CID 159171014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).