zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate

C13H25O2SnZn+3 — CID 19794979

IUPACzinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].CCCC[Sn+2]CCCC.[Zn+2]
InChIInChI=1S/C5H8O2.2C4H9.Sn.Zn/c1-4(6)3-5(2)7;2*1-3-4-2;;/h3,6H,1-2H3;2*1,3-4H2,2H3;;/q;;;2*+2/p-1/b4-3-;;;;
InChIKeyHXFBXQGKNNOVDY-PHSMJEINSA-M
MW397.44 g/mol
LogP2.96
Rot. Bonds7

About zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate

zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate (PubChem CID 19794979) has the molecular formula C13H25O2SnZn+3 and a molecular weight of 397.44 g/mol. Its IUPAC name is zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namezinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate
PubChem CID19794979
Molecular FormulaC13H25O2SnZn+3
Molecular Weight397.44 g/mol
Exact Mass397.02
IUPAC Namezinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].CCCC[Sn+2]CCCC.[Zn+2]
InChIInChI=1S/C5H8O2.2C4H9.Sn.Zn/c1-4(6)3-5(2)7;2*1-3-4-2;;/h3,6H,1-2H3;2*1,3-4H2,2H3;;/q;;;2*+2/p-1/b4-3-;;;;
InChIKeyHXFBXQGKNNOVDY-PHSMJEINSA-M
XLogP2.96
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(butan-1-ol);bis((Z)-4-oxopent-2-en-2-olate);titanium
CID 22465947
dibutyltin(2+);bis(3-oxobutanoate)
CID 22571283
magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate
CID 71301313
dibutyltin(2+);bis(3,3-diethoxyprop-2-enoate)
CID 159399728
bis(octane);bis(4-oxopent-2-en-2-olate);tin(4+)
CID 57373239
butane;bis((Z)-4-oxopent-2-en-2-olate);titanium(4+)
CID 87992311
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
tris((Z)-4-oxopent-2-en-2-olate);platinum
CID 173155948
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612

Frequently Asked Questions

What is the IUPAC name of zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate?
The IUPAC name of zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate (CID 19794979) is zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate.
What is the SMILES notation for zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate?
The canonical SMILES for zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate is CC(=O)/C=C(/C)[O-].CCCC[Sn+2]CCCC.[Zn+2].
What is the InChIKey of zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate?
The InChIKey is HXFBXQGKNNOVDY-PHSMJEINSA-M. The full InChI is InChI=1S/C5H8O2.2C4H9.Sn.Zn/c1-4(6)3-5(2)7;2*1-3-4-2;;/h3,6H,1-2H3;2*1,3-4H2,2H3;;/q;;;2*+2/p-1/b4-3-;;;;.
What are the key properties of zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate?
zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate has a molecular weight of 397.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate is sourced from PubChem (CID 19794979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).