tris(butan-1-olate);ethyltin(3+);tin(4+)

C14H32O3Sn2+4 — CID 160574028

IUPACtris(butan-1-olate);ethyltin(3+);tin(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CC[Sn+3].[Sn+4]
InChIInChI=1S/3C4H9O.C2H5.2Sn/c3*1-2-3-4-5;1-2;;/h3*2-4H2,1H3;1H2,2H3;;/q3*-1;;+3;+4
InChIKeyRAXJZLMVFJWBRF-UHFFFAOYSA-N
MW485.83 g/mol
LogP0.65
Rot. Bonds6

About tris(butan-1-olate);ethyltin(3+);tin(4+)

tris(butan-1-olate);ethyltin(3+);tin(4+) (PubChem CID 160574028) has the molecular formula C14H32O3Sn2+4 and a molecular weight of 485.83 g/mol. Its IUPAC name is tris(butan-1-olate);ethyltin(3+);tin(4+).

Molecular Properties

Compound Nametris(butan-1-olate);ethyltin(3+);tin(4+)
PubChem CID160574028
Molecular FormulaC14H32O3Sn2+4
Molecular Weight485.83 g/mol
Exact Mass488.04
IUPAC Nametris(butan-1-olate);ethyltin(3+);tin(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CC[Sn+3].[Sn+4]
InChIInChI=1S/3C4H9O.C2H5.2Sn/c3*1-2-3-4-5;1-2;;/h3*2-4H2,1H3;1H2,2H3;;/q3*-1;;+3;+4
InChIKeyRAXJZLMVFJWBRF-UHFFFAOYSA-N
XLogP0.65
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.83
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);ethyltin(3+);tin(4+)?
The IUPAC name of tris(butan-1-olate);ethyltin(3+);tin(4+) (CID 160574028) is tris(butan-1-olate);ethyltin(3+);tin(4+).
What is the SMILES notation for tris(butan-1-olate);ethyltin(3+);tin(4+)?
The canonical SMILES for tris(butan-1-olate);ethyltin(3+);tin(4+) is CCCC[O-].CCCC[O-].CCCC[O-].CC[Sn+3].[Sn+4].
What is the InChIKey of tris(butan-1-olate);ethyltin(3+);tin(4+)?
The InChIKey is RAXJZLMVFJWBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.C2H5.2Sn/c3*1-2-3-4-5;1-2;;/h3*2-4H2,1H3;1H2,2H3;;/q3*-1;;+3;+4.
What are the key properties of tris(butan-1-olate);ethyltin(3+);tin(4+)?
tris(butan-1-olate);ethyltin(3+);tin(4+) has a molecular weight of 485.83 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);ethyltin(3+);tin(4+) is sourced from PubChem (CID 160574028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).