methyl 3-phenyl-2-triphenylstannylpropanoate

C28H26O2Sn — CID 15065445

IUPACmethyl 3-phenyl-2-triphenylstannylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C10H11O2.3C6H5.Sn/c1-12-10(11)8-7-9-5-3-2-4-6-9;3*1-2-4-6-5-3-1;/h2-6,8H,7H2,1H3;3*1-5H;
InChIKeyUCTAXUXZNKAWDK-UHFFFAOYSA-N
MW513.23 g/mol
LogP3.94
Rot. Bonds7

About methyl 3-phenyl-2-triphenylstannylpropanoate

methyl 3-phenyl-2-triphenylstannylpropanoate (PubChem CID 15065445) has the molecular formula C28H26O2Sn and a molecular weight of 513.23 g/mol. Its IUPAC name is methyl 3-phenyl-2-triphenylstannylpropanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-triphenylstannylpropanoate
PubChem CID15065445
Molecular FormulaC28H26O2Sn
Molecular Weight513.23 g/mol
Exact Mass514.10
IUPAC Namemethyl 3-phenyl-2-triphenylstannylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C10H11O2.3C6H5.Sn/c1-12-10(11)8-7-9-5-3-2-4-6-9;3*1-2-4-6-5-3-1;/h2-6,8H,7H2,1H3;3*1-5H;
InChIKeyUCTAXUXZNKAWDK-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
azane;methyl (2R)-2-chloro-3-phenylpropanoate
CID 135340026
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl 2-benzyl-5-methyl-4-oxohexanoate
CID 58307925
(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
CID 139962469

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-triphenylstannylpropanoate?
The IUPAC name of methyl 3-phenyl-2-triphenylstannylpropanoate (CID 15065445) is methyl 3-phenyl-2-triphenylstannylpropanoate.
What is the SMILES notation for methyl 3-phenyl-2-triphenylstannylpropanoate?
The canonical SMILES for methyl 3-phenyl-2-triphenylstannylpropanoate is COC(=O)C(Cc1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-2-triphenylstannylpropanoate?
The InChIKey is UCTAXUXZNKAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.3C6H5.Sn/c1-12-10(11)8-7-9-5-3-2-4-6-9;3*1-2-4-6-5-3-1;/h2-6,8H,7H2,1H3;3*1-5H;.
What are the key properties of methyl 3-phenyl-2-triphenylstannylpropanoate?
methyl 3-phenyl-2-triphenylstannylpropanoate has a molecular weight of 513.23 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-triphenylstannylpropanoate is sourced from PubChem (CID 15065445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).