tributylstannyl dodecanoate

C24H50O2Sn — CID 16683295

IUPACtributylstannyl dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyHFFZSMFXOBHQLV-UHFFFAOYSA-M
MW489.37 g/mol
LogP8.80
Rot. Bonds20

About tributylstannyl dodecanoate

tributylstannyl dodecanoate (PubChem CID 16683295) has the molecular formula C24H50O2Sn and a molecular weight of 489.37 g/mol. Its IUPAC name is tributylstannyl dodecanoate.

Molecular Properties

Compound Nametributylstannyl dodecanoate
PubChem CID16683295
Molecular FormulaC24H50O2Sn
Molecular Weight489.37 g/mol
Exact Mass490.28
IUPAC Nametributylstannyl dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyHFFZSMFXOBHQLV-UHFFFAOYSA-M
XLogP8.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributylstannyl octanoate
CID 16683987
tributylstannyl (Z)-octadec-9-enoate
CID 16684076
[dibutyl-[dibutyl-[dibutyl(octanoyloxy)stannyl]oxystannyl]oxystannyl] octanoate
CID 23071227
[di(dodecanoyloxy)-hexylstannyl] dodecanoate
CID 141110881
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
trimethylstannyl octadecanoate
CID 16685791
[diethyl(tetradecanoyloxy)stannyl] tetradecanoate
CID 140944868
[di(heptanoyloxy)-methylstannyl] heptanoate
CID 139676625
[octyl-di(pentanoyloxy)stannyl] pentanoate
CID 71337905
[dibutyl(9,10-dihydroxyoctadecanoyloxy)stannyl] 9,10-dihydroxyoctadecanoate
CID 71441902
dodecanoyl dodecanoate;ethanol
CID 157135932

Frequently Asked Questions

What is the IUPAC name of tributylstannyl dodecanoate?
The IUPAC name of tributylstannyl dodecanoate (CID 16683295) is tributylstannyl dodecanoate.
What is the SMILES notation for tributylstannyl dodecanoate?
The canonical SMILES for tributylstannyl dodecanoate is CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylstannyl dodecanoate?
The InChIKey is HFFZSMFXOBHQLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl dodecanoate?
tributylstannyl dodecanoate has a molecular weight of 489.37 g/mol, XLogP of 8.80, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl dodecanoate is sourced from PubChem (CID 16683295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).