ethyl (2R)-2-triphenylstannylpropanoate

C23H24O2Sn — CID 99771305

IUPACethyl (2R)-2-triphenylstannylpropanoate
SMILESCCOC(=O)[C@@H](C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C5H9O2.Sn/c3*1-2-4-6-5-3-1;1-3-5(6)7-4-2;/h3*1-5H;3H,4H2,1-2H3;
InChIKeyNCNMTBYBUNGPSA-UHFFFAOYSA-N
MW451.15 g/mol
LogP3.11
Rot. Bonds6

About ethyl (2R)-2-triphenylstannylpropanoate

ethyl (2R)-2-triphenylstannylpropanoate (PubChem CID 99771305) has the molecular formula C23H24O2Sn and a molecular weight of 451.15 g/mol. Its IUPAC name is ethyl (2R)-2-triphenylstannylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-triphenylstannylpropanoate
PubChem CID99771305
Molecular FormulaC23H24O2Sn
Molecular Weight451.15 g/mol
Exact Mass452.08
IUPAC Nameethyl (2R)-2-triphenylstannylpropanoate
SMILESCCOC(=O)[C@@H](C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C5H9O2.Sn/c3*1-2-4-6-5-3-1;1-3-5(6)7-4-2;/h3*1-5H;3H,4H2,1-2H3;
InChIKeyNCNMTBYBUNGPSA-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.15
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-phenylpropanoate
CID 7204861
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
N-benzylethanamine;diethyl 2-methylpropanedioate
CID 142885461
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
azane;ethyl 2-hydroxypropanoate;phenylmercury
CID 174333864
ethyl 2-(1-aminopropan-2-ylsulfanyl)-2-phenylacetate
CID 106676902

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-triphenylstannylpropanoate?
The IUPAC name of ethyl (2R)-2-triphenylstannylpropanoate (CID 99771305) is ethyl (2R)-2-triphenylstannylpropanoate.
What is the SMILES notation for ethyl (2R)-2-triphenylstannylpropanoate?
The canonical SMILES for ethyl (2R)-2-triphenylstannylpropanoate is CCOC(=O)[C@@H](C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-triphenylstannylpropanoate?
The InChIKey is NCNMTBYBUNGPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C5H9O2.Sn/c3*1-2-4-6-5-3-1;1-3-5(6)7-4-2;/h3*1-5H;3H,4H2,1-2H3;.
What are the key properties of ethyl (2R)-2-triphenylstannylpropanoate?
ethyl (2R)-2-triphenylstannylpropanoate has a molecular weight of 451.15 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-triphenylstannylpropanoate is sourced from PubChem (CID 99771305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).