dibutyltin;tetrakis(dodecanoic acid)

C56H114O8Sn — CID 173333361

IUPACdibutyltin;tetrakis(dodecanoic acid)
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCC[Sn]CCCC
InChIInChI=1S/4C12H24O2.2C4H9.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h4*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;
InChIKeyQTNRYVDTFQUURS-UHFFFAOYSA-N
MW1034.23 g/mol
LogP19.09
Rot. Bonds46

About dibutyltin;tetrakis(dodecanoic acid)

dibutyltin;tetrakis(dodecanoic acid) (PubChem CID 173333361) has the molecular formula C56H114O8Sn and a molecular weight of 1034.23 g/mol. Its IUPAC name is dibutyltin;tetrakis(dodecanoic acid).

Molecular Properties

Compound Namedibutyltin;tetrakis(dodecanoic acid)
PubChem CID173333361
Molecular FormulaC56H114O8Sn
Molecular Weight1034.23 g/mol
Exact Mass1034.75
IUPAC Namedibutyltin;tetrakis(dodecanoic acid)
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCC[Sn]CCCC
InChIInChI=1S/4C12H24O2.2C4H9.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h4*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;
InChIKeyQTNRYVDTFQUURS-UHFFFAOYSA-N
XLogP19.09
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds46
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.23
LogP ≤ 519.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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henicosane;tricosanoic acid
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decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
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Frequently Asked Questions

What is the IUPAC name of dibutyltin;tetrakis(dodecanoic acid)?
The IUPAC name of dibutyltin;tetrakis(dodecanoic acid) (CID 173333361) is dibutyltin;tetrakis(dodecanoic acid).
What is the SMILES notation for dibutyltin;tetrakis(dodecanoic acid)?
The canonical SMILES for dibutyltin;tetrakis(dodecanoic acid) is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;tetrakis(dodecanoic acid)?
The InChIKey is QTNRYVDTFQUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H24O2.2C4H9.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h4*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;tetrakis(dodecanoic acid)?
dibutyltin;tetrakis(dodecanoic acid) has a molecular weight of 1034.23 g/mol, XLogP of 19.09, 46 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;tetrakis(dodecanoic acid) is sourced from PubChem (CID 173333361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).