[diethyl(phenyl)stannyl] acetate

C12H18O2Sn — CID 16684174

IUPAC[diethyl(phenyl)stannyl] acetate
SMILESCC[Sn](CC)(OC(C)=O)c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.2C2H5.Sn/c1-2-4-6-5-3-1;1-2(3)4;2*1-2;/h1-5H;1H3,(H,3,4);2*1H2,2H3;/q;;;;+1/p-1
InChIKeyOABMYCPSAUZSIK-UHFFFAOYSA-M
MW312.99 g/mol
LogP2.44
Rot. Bonds4

About [diethyl(phenyl)stannyl] acetate

[diethyl(phenyl)stannyl] acetate (PubChem CID 16684174) has the molecular formula C12H18O2Sn and a molecular weight of 312.99 g/mol. Its IUPAC name is [diethyl(phenyl)stannyl] acetate.

Molecular Properties

Compound Name[diethyl(phenyl)stannyl] acetate
PubChem CID16684174
Molecular FormulaC12H18O2Sn
Molecular Weight312.99 g/mol
Exact Mass314.03
IUPAC Name[diethyl(phenyl)stannyl] acetate
SMILESCC[Sn](CC)(OC(C)=O)c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.2C2H5.Sn/c1-2-4-6-5-3-1;1-2(3)4;2*1-2;/h1-5H;1H3,(H,3,4);2*1H2,2H3;/q;;;;+1/p-1
InChIKeyOABMYCPSAUZSIK-UHFFFAOYSA-M
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.99
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16692834
triethylstannyl acetate
CID 16682966
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acetic acid;ethyl acetate;methanol;toluene
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azane;ethanol;mercury;phenyl acetate
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CID 70298210
benzyl acetate
CID 8785
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
[[(2S)-2-amino-3-phenylpropanoyl]oxy-dimethylstannyl] (2S)-2-amino-3-phenylpropanoate
CID 124629701
ethyl acetate;stilbene
CID 159556390
[ethyl(diphenyl)silyl] acetate
CID 66773951

Frequently Asked Questions

What is the IUPAC name of [diethyl(phenyl)stannyl] acetate?
The IUPAC name of [diethyl(phenyl)stannyl] acetate (CID 16684174) is [diethyl(phenyl)stannyl] acetate.
What is the SMILES notation for [diethyl(phenyl)stannyl] acetate?
The canonical SMILES for [diethyl(phenyl)stannyl] acetate is CC[Sn](CC)(OC(C)=O)c1ccccc1.
What is the InChIKey of [diethyl(phenyl)stannyl] acetate?
The InChIKey is OABMYCPSAUZSIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C2H4O2.2C2H5.Sn/c1-2-4-6-5-3-1;1-2(3)4;2*1-2;/h1-5H;1H3,(H,3,4);2*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of [diethyl(phenyl)stannyl] acetate?
[diethyl(phenyl)stannyl] acetate has a molecular weight of 312.99 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl(phenyl)stannyl] acetate is sourced from PubChem (CID 16684174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).