butyltin(3+) triformate

C7H12O6Sn — CID 159214182

IUPACbutyltin(3+) triformate
SMILESCCCC[Sn+3].O=C[O-].O=C[O-].O=C[O-]
InChIInChI=1S/C4H9.3CH2O2.Sn/c1-3-4-2;3*2-1-3;/h1,3-4H2,2H3;3*1H,(H,2,3);/q;;;;+3/p-3
InChIKeyKQWAAVMDDHZOCM-UHFFFAOYSA-K
MW310.88 g/mol
LogP-3.53
Rot. Bonds2

About butyltin(3+) triformate

butyltin(3+) triformate (PubChem CID 159214182) has the molecular formula C7H12O6Sn and a molecular weight of 310.88 g/mol. Its IUPAC name is butyltin(3+) triformate.

Molecular Properties

Compound Namebutyltin(3+) triformate
PubChem CID159214182
Molecular FormulaC7H12O6Sn
Molecular Weight310.88 g/mol
Exact Mass311.97
IUPAC Namebutyltin(3+) triformate
SMILESCCCC[Sn+3].O=C[O-].O=C[O-].O=C[O-]
InChIInChI=1S/C4H9.3CH2O2.Sn/c1-3-4-2;3*2-1-3;/h1,3-4H2,2H3;3*1H,(H,2,3);/q;;;;+3/p-3
InChIKeyKQWAAVMDDHZOCM-UHFFFAOYSA-K
XLogP-3.53
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.88
LogP ≤ 5-3.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyltin(3+) triformate?
The IUPAC name of butyltin(3+) triformate (CID 159214182) is butyltin(3+) triformate.
What is the SMILES notation for butyltin(3+) triformate?
The canonical SMILES for butyltin(3+) triformate is CCCC[Sn+3].O=C[O-].O=C[O-].O=C[O-].
What is the InChIKey of butyltin(3+) triformate?
The InChIKey is KQWAAVMDDHZOCM-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9.3CH2O2.Sn/c1-3-4-2;3*2-1-3;/h1,3-4H2,2H3;3*1H,(H,2,3);/q;;;;+3/p-3.
What are the key properties of butyltin(3+) triformate?
butyltin(3+) triformate has a molecular weight of 310.88 g/mol, XLogP of -3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyltin(3+) triformate is sourced from PubChem (CID 159214182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).