ethyl propanoate;tin(2+);dichloride

C10H20Cl2O4Sn — CID 171374953

IUPACethyl propanoate;tin(2+);dichloride
SMILESCCOC(=O)CC.CCOC(=O)CC.[Cl-].[Cl-].[Sn+2]
InChIInChI=1S/2C5H10O2.2ClH.Sn/c2*1-3-5(6)7-4-2;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyZVXIQPLHVKLZQU-UHFFFAOYSA-L
MW393.88 g/mol
LogP-4.45
Rot. Bonds4

About ethyl propanoate;tin(2+);dichloride

ethyl propanoate;tin(2+);dichloride (PubChem CID 171374953) has the molecular formula C10H20Cl2O4Sn and a molecular weight of 393.88 g/mol. Its IUPAC name is ethyl propanoate;tin(2+);dichloride.

Molecular Properties

Compound Nameethyl propanoate;tin(2+);dichloride
PubChem CID171374953
Molecular FormulaC10H20Cl2O4Sn
Molecular Weight393.88 g/mol
Exact Mass393.98
IUPAC Nameethyl propanoate;tin(2+);dichloride
SMILESCCOC(=O)CC.CCOC(=O)CC.[Cl-].[Cl-].[Sn+2]
InChIInChI=1S/2C5H10O2.2ClH.Sn/c2*1-3-5(6)7-4-2;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyZVXIQPLHVKLZQU-UHFFFAOYSA-L
XLogP-4.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 5-4.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;tin(2+);dichloride?
The IUPAC name of ethyl propanoate;tin(2+);dichloride (CID 171374953) is ethyl propanoate;tin(2+);dichloride.
What is the SMILES notation for ethyl propanoate;tin(2+);dichloride?
The canonical SMILES for ethyl propanoate;tin(2+);dichloride is CCOC(=O)CC.CCOC(=O)CC.[Cl-].[Cl-].[Sn+2].
What is the InChIKey of ethyl propanoate;tin(2+);dichloride?
The InChIKey is ZVXIQPLHVKLZQU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.2ClH.Sn/c2*1-3-5(6)7-4-2;;;/h2*3-4H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of ethyl propanoate;tin(2+);dichloride?
ethyl propanoate;tin(2+);dichloride has a molecular weight of 393.88 g/mol, XLogP of -4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;tin(2+);dichloride is sourced from PubChem (CID 171374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).