propanoate;tin(4+)

C12H20O8Sn — CID 167712674

IUPACpropanoate;tin(4+)
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Sn+4]
InChIInChI=1S/4C3H6O2.Sn/c4*1-2-3(4)5;/h4*2H2,1H3,(H,4,5);/q;;;;+4/p-4
InChIKeyLORRXSUXWWGUIX-UHFFFAOYSA-J
MW411.00 g/mol
LogP-3.80
Rot. Bonds4

About propanoate;tin(4+)

propanoate;tin(4+) (PubChem CID 167712674) has the molecular formula C12H20O8Sn and a molecular weight of 411.00 g/mol. Its IUPAC name is propanoate;tin(4+).

Molecular Properties

Compound Namepropanoate;tin(4+)
PubChem CID167712674
Molecular FormulaC12H20O8Sn
Molecular Weight411.00 g/mol
Exact Mass412.02
IUPAC Namepropanoate;tin(4+)
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Sn+4]
InChIInChI=1S/4C3H6O2.Sn/c4*1-2-3(4)5;/h4*2H2,1H3,(H,4,5);/q;;;;+4/p-4
InChIKeyLORRXSUXWWGUIX-UHFFFAOYSA-J
XLogP-3.80
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.00
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propanoate;tin(4+)?
The IUPAC name of propanoate;tin(4+) (CID 167712674) is propanoate;tin(4+).
What is the SMILES notation for propanoate;tin(4+)?
The canonical SMILES for propanoate;tin(4+) is CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Sn+4].
What is the InChIKey of propanoate;tin(4+)?
The InChIKey is LORRXSUXWWGUIX-UHFFFAOYSA-J. The full InChI is InChI=1S/4C3H6O2.Sn/c4*1-2-3(4)5;/h4*2H2,1H3,(H,4,5);/q;;;;+4/p-4.
What are the key properties of propanoate;tin(4+)?
propanoate;tin(4+) has a molecular weight of 411.00 g/mol, XLogP of -3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;tin(4+) is sourced from PubChem (CID 167712674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).