3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid

C12H16O4Si — CID 13252699

IUPAC3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid
SMILESC[Si](C)(C)OC(=O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16O4Si/c1-17(2,3)16-12(15)10(11(13)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14)
InChIKeyAHYMVHCBZKZJMF-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.23
Rot. Bonds4

About 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid

3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid (PubChem CID 13252699) has the molecular formula C12H16O4Si and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid.

Molecular Properties

Compound Name3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid
PubChem CID13252699
Molecular FormulaC12H16O4Si
Molecular Weight252.34 g/mol
Exact Mass252.08
IUPAC Name3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid
SMILESC[Si](C)(C)OC(=O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16O4Si/c1-17(2,3)16-12(15)10(11(13)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14)
InChIKeyAHYMVHCBZKZJMF-UHFFFAOYSA-N
XLogP2.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
calcium;hydride;2-phenylpropanedioic acid
CID 174516330
(2R)-3-butoxy-3-oxo-2-phenylpropanoic acid
CID 129385176
potassium;sodium;hydride;2-phenylpropanedioic acid
CID 174967648
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
2-oxo-3-phenylbutanedioic acid
CID 20555666
3-methyl-2-phenylpent-3-enoic acid
CID 173232429
3-(cyclopropylmethoxy)-3-oxo-2-phenylpropanoic acid
CID 129239144
3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoic acid
CID 141016753
3-(dimethoxyamino)-3-oxo-2-phenylpropanoic acid
CID 142800715

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid?
The IUPAC name of 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid (CID 13252699) is 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid.
What is the SMILES notation for 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid?
The canonical SMILES for 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid is C[Si](C)(C)OC(=O)C(C(=O)O)c1ccccc1.
What is the InChIKey of 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid?
The InChIKey is AHYMVHCBZKZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4Si/c1-17(2,3)16-12(15)10(11(13)14)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14).
What are the key properties of 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid?
3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid has a molecular weight of 252.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenyl-3-trimethylsilyloxypropanoic acid is sourced from PubChem (CID 13252699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).