ethyl 2-triphenylstannylacetate

C22H22O2Sn — CID 4138734

IUPACethyl 2-triphenylstannylacetate
SMILESCCOC(=O)C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H7O2.Sn/c3*1-2-4-6-5-3-1;1-3-6-4(2)5;/h3*1-5H;2-3H2,1H3;
InChIKeyFSAHUMCKSMYUPI-UHFFFAOYSA-N
MW437.13 g/mol
LogP2.72
Rot. Bonds6

About ethyl 2-triphenylstannylacetate

ethyl 2-triphenylstannylacetate (PubChem CID 4138734) has the molecular formula C22H22O2Sn and a molecular weight of 437.13 g/mol. Its IUPAC name is ethyl 2-triphenylstannylacetate.

Molecular Properties

Compound Nameethyl 2-triphenylstannylacetate
PubChem CID4138734
Molecular FormulaC22H22O2Sn
Molecular Weight437.13 g/mol
Exact Mass438.06
IUPAC Nameethyl 2-triphenylstannylacetate
SMILESCCOC(=O)C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C4H7O2.Sn/c3*1-2-4-6-5-3-1;1-3-6-4(2)5;/h3*1-5H;2-3H2,1H3;
InChIKeyFSAHUMCKSMYUPI-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl carbamate;stilbene
CID 175156091
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate
CID 4101849
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl (2R)-2-triphenylstannylpropanoate
CID 99771305
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
CID 6332799
CID 6332799
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl butanoate;phthalic acid
CID 175043682

Frequently Asked Questions

What is the IUPAC name of ethyl 2-triphenylstannylacetate?
The IUPAC name of ethyl 2-triphenylstannylacetate (CID 4138734) is ethyl 2-triphenylstannylacetate.
What is the SMILES notation for ethyl 2-triphenylstannylacetate?
The canonical SMILES for ethyl 2-triphenylstannylacetate is CCOC(=O)C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-triphenylstannylacetate?
The InChIKey is FSAHUMCKSMYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C4H7O2.Sn/c3*1-2-4-6-5-3-1;1-3-6-4(2)5;/h3*1-5H;2-3H2,1H3;.
What are the key properties of ethyl 2-triphenylstannylacetate?
ethyl 2-triphenylstannylacetate has a molecular weight of 437.13 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-triphenylstannylacetate is sourced from PubChem (CID 4138734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).