diethyltin(2+) diformate

C6H12O4Sn — CID 159116255

IUPACdiethyltin(2+) diformate
SMILESCC[Sn+2]CC.O=C[O-].O=C[O-]
InChIInChI=1S/2C2H5.2CH2O2.Sn/c2*1-2;2*2-1-3;/h2*1H2,2H3;2*1H,(H,2,3);/q;;;;+2/p-2
InChIKeyKFCXDHNEDJYLAK-UHFFFAOYSA-L
MW266.87 g/mol
LogP-1.70
Rot. Bonds2

About diethyltin(2+) diformate

diethyltin(2+) diformate (PubChem CID 159116255) has the molecular formula C6H12O4Sn and a molecular weight of 266.87 g/mol. Its IUPAC name is diethyltin(2+) diformate.

Molecular Properties

Compound Namediethyltin(2+) diformate
PubChem CID159116255
Molecular FormulaC6H12O4Sn
Molecular Weight266.87 g/mol
Exact Mass267.98
IUPAC Namediethyltin(2+) diformate
SMILESCC[Sn+2]CC.O=C[O-].O=C[O-]
InChIInChI=1S/2C2H5.2CH2O2.Sn/c2*1-2;2*2-1-3;/h2*1H2,2H3;2*1H,(H,2,3);/q;;;;+2/p-2
InChIKeyKFCXDHNEDJYLAK-UHFFFAOYSA-L
XLogP-1.70
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.87
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyltin(2+) diformate?
The IUPAC name of diethyltin(2+) diformate (CID 159116255) is diethyltin(2+) diformate.
What is the SMILES notation for diethyltin(2+) diformate?
The canonical SMILES for diethyltin(2+) diformate is CC[Sn+2]CC.O=C[O-].O=C[O-].
What is the InChIKey of diethyltin(2+) diformate?
The InChIKey is KFCXDHNEDJYLAK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H5.2CH2O2.Sn/c2*1-2;2*2-1-3;/h2*1H2,2H3;2*1H,(H,2,3);/q;;;;+2/p-2.
What are the key properties of diethyltin(2+) diformate?
diethyltin(2+) diformate has a molecular weight of 266.87 g/mol, XLogP of -1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyltin(2+) diformate is sourced from PubChem (CID 159116255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).