phenyltin(3+);propanoate

C15H20O6Sn — CID 157164859

IUPACphenyltin(3+);propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Sn+3]c1ccccc1
InChIInChI=1S/C6H5.3C3H6O2.Sn/c1-2-4-6-5-3-1;3*1-2-3(4)5;/h1-5H;3*2H2,1H3,(H,4,5);/q;;;;+3/p-3
InChIKeyAMUDKCLCLNYXCB-UHFFFAOYSA-K
MW415.03 g/mol
LogP-2.08
Rot. Bonds3

About phenyltin(3+);propanoate

phenyltin(3+);propanoate (PubChem CID 157164859) has the molecular formula C15H20O6Sn and a molecular weight of 415.03 g/mol. Its IUPAC name is phenyltin(3+);propanoate.

Molecular Properties

Compound Namephenyltin(3+);propanoate
PubChem CID157164859
Molecular FormulaC15H20O6Sn
Molecular Weight415.03 g/mol
Exact Mass416.03
IUPAC Namephenyltin(3+);propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Sn+3]c1ccccc1
InChIInChI=1S/C6H5.3C3H6O2.Sn/c1-2-4-6-5-3-1;3*1-2-3(4)5;/h1-5H;3*2H2,1H3,(H,4,5);/q;;;;+3/p-3
InChIKeyAMUDKCLCLNYXCB-UHFFFAOYSA-K
XLogP-2.08
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.03
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

zinc;phenol;propanoate
CID 174753936
phenyltin(3+) tribenzoate
CID 162201081
propanoate;trimethyl(phenyl)azanium
CID 70571170
benzyltin(3+) triacetate
CID 161126164
propanoate;triethyl(phenyl)azanium
CID 146567529
benzyl(trimethyl)azanium;propanoate
CID 87903949
phenyltin(3+) trihydroxide
CID 70460326
tris(oxygen(2-));bis(phenyltin(3+))
CID 70579124
phenyltin(3+) trichloride
CID 53384583
propanoate;trimethyl(trityl)phosphanium
CID 18355979
1,1'-biphenyl;propanoyl bromide
CID 175328868
(4-fluorophenyl)-diphenylsulfanium;propanoate
CID 159057475

Frequently Asked Questions

What is the IUPAC name of phenyltin(3+);propanoate?
The IUPAC name of phenyltin(3+);propanoate (CID 157164859) is phenyltin(3+);propanoate.
What is the SMILES notation for phenyltin(3+);propanoate?
The canonical SMILES for phenyltin(3+);propanoate is CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Sn+3]c1ccccc1.
What is the InChIKey of phenyltin(3+);propanoate?
The InChIKey is AMUDKCLCLNYXCB-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H5.3C3H6O2.Sn/c1-2-4-6-5-3-1;3*1-2-3(4)5;/h1-5H;3*2H2,1H3,(H,4,5);/q;;;;+3/p-3.
What are the key properties of phenyltin(3+);propanoate?
phenyltin(3+);propanoate has a molecular weight of 415.03 g/mol, XLogP of -2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyltin(3+);propanoate is sourced from PubChem (CID 157164859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).