dibutyltin;bis(ethyl hexanoate)

C24H50O4Sn — CID 87061264

IUPACdibutyltin;bis(ethyl hexanoate)
SMILESCCCCCC(=O)OCC.CCCCCC(=O)OCC.CCCC[Sn]CCCC
InChIInChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7-8(9)10-4-2;2*1-3-4-2;/h2*3-7H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyVTPJKHOQGQJCAX-UHFFFAOYSA-N
MW521.37 g/mol
LogP7.39
Rot. Bonds16

About dibutyltin;bis(ethyl hexanoate)

dibutyltin;bis(ethyl hexanoate) (PubChem CID 87061264) has the molecular formula C24H50O4Sn and a molecular weight of 521.37 g/mol. Its IUPAC name is dibutyltin;bis(ethyl hexanoate).

Molecular Properties

Compound Namedibutyltin;bis(ethyl hexanoate)
PubChem CID87061264
Molecular FormulaC24H50O4Sn
Molecular Weight521.37 g/mol
Exact Mass522.27
IUPAC Namedibutyltin;bis(ethyl hexanoate)
SMILESCCCCCC(=O)OCC.CCCCCC(=O)OCC.CCCC[Sn]CCCC
InChIInChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7-8(9)10-4-2;2*1-3-4-2;/h2*3-7H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyVTPJKHOQGQJCAX-UHFFFAOYSA-N
XLogP7.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.37
LogP ≤ 57.39
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

pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;tungsten
CID 175314088
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;titanium
CID 87406037
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;rhodium
CID 87383837
ethyl hexanoate;zirconium(2+)
CID 161370000

Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis(ethyl hexanoate)?
The IUPAC name of dibutyltin;bis(ethyl hexanoate) (CID 87061264) is dibutyltin;bis(ethyl hexanoate).
What is the SMILES notation for dibutyltin;bis(ethyl hexanoate)?
The canonical SMILES for dibutyltin;bis(ethyl hexanoate) is CCCCCC(=O)OCC.CCCCCC(=O)OCC.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;bis(ethyl hexanoate)?
The InChIKey is VTPJKHOQGQJCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7-8(9)10-4-2;2*1-3-4-2;/h2*3-7H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;bis(ethyl hexanoate)?
dibutyltin;bis(ethyl hexanoate) has a molecular weight of 521.37 g/mol, XLogP of 7.39, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(ethyl hexanoate) is sourced from PubChem (CID 87061264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).