benzyltin(3+) triacetate

C13H16O6Sn — CID 161126164

IUPACbenzyltin(3+) triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sn+3]Cc1ccccc1
InChIInChI=1S/C7H7.3C2H4O2.Sn/c1-7-5-3-2-4-6-7;3*1-2(3)4;/h2-6H,1H2;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyULOWGVUCPONKDN-UHFFFAOYSA-K
MW386.98 g/mol
LogP-2.38
Rot. Bonds1

About benzyltin(3+) triacetate

benzyltin(3+) triacetate (PubChem CID 161126164) has the molecular formula C13H16O6Sn and a molecular weight of 386.98 g/mol. Its IUPAC name is benzyltin(3+) triacetate.

Molecular Properties

Compound Namebenzyltin(3+) triacetate
PubChem CID161126164
Molecular FormulaC13H16O6Sn
Molecular Weight386.98 g/mol
Exact Mass388.00
IUPAC Namebenzyltin(3+) triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sn+3]Cc1ccccc1
InChIInChI=1S/C7H7.3C2H4O2.Sn/c1-7-5-3-2-4-6-7;3*1-2(3)4;/h2-6H,1H2;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyULOWGVUCPONKDN-UHFFFAOYSA-K
XLogP-2.38
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.98
LogP ≤ 5-2.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

lithium 2-phenylacetate
CID 19205773
phenylmethanediazonium acetate
CID 162310066
amino(benzyl)azanium acetate
CID 157138793
phenyltin(3+);propanoate
CID 157164859
3-phenylpropylazanium acetate
CID 67633985
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
benzene;1-phenylpropan-2-one
CID 21430852
azane;phenylmercury(1+);acetate
CID 90478884
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
benzyl(trimethyl)azanium;propanoate
CID 87903949
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
silver;benzene;acetate
CID 174986985

Frequently Asked Questions

What is the IUPAC name of benzyltin(3+) triacetate?
The IUPAC name of benzyltin(3+) triacetate (CID 161126164) is benzyltin(3+) triacetate.
What is the SMILES notation for benzyltin(3+) triacetate?
The canonical SMILES for benzyltin(3+) triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sn+3]Cc1ccccc1.
What is the InChIKey of benzyltin(3+) triacetate?
The InChIKey is ULOWGVUCPONKDN-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H7.3C2H4O2.Sn/c1-7-5-3-2-4-6-7;3*1-2(3)4;/h2-6H,1H2;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of benzyltin(3+) triacetate?
benzyltin(3+) triacetate has a molecular weight of 386.98 g/mol, XLogP of -2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyltin(3+) triacetate is sourced from PubChem (CID 161126164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).