2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid

C15H24O3Si2 — CID 102239962

IUPAC2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid
SMILESC[Si](C)(C)C(C(=O)C(=O)O)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H24O3Si2/c1-19(2,3)15(20(4,5)6,13(16)14(17)18)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,17,18)
InChIKeyPLCKKFSJKHIGPY-UHFFFAOYSA-N
MW308.53 g/mol
LogP3.33
Rot. Bonds5

About 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid

2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid (PubChem CID 102239962) has the molecular formula C15H24O3Si2 and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid.

Molecular Properties

Compound Name2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid
PubChem CID102239962
Molecular FormulaC15H24O3Si2
Molecular Weight308.53 g/mol
Exact Mass308.13
IUPAC Name2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid
SMILESC[Si](C)(C)C(C(=O)C(=O)O)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H24O3Si2/c1-19(2,3)15(20(4,5)6,13(16)14(17)18)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,17,18)
InChIKeyPLCKKFSJKHIGPY-UHFFFAOYSA-N
XLogP3.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913
1,1-diphenylethyl(trimethyl)silane
CID 553309
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
3-methylidene-2-(2-oxopropyl)-2-phenylbutanedioic acid
CID 22289715
4,4-diphenylhexane-2,3,5-trione
CID 140640307
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
amino 2-amino-3-oxo-2-phenylbutanoate
CID 175404789
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid?
The IUPAC name of 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid (CID 102239962) is 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid.
What is the SMILES notation for 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid?
The canonical SMILES for 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid is C[Si](C)(C)C(C(=O)C(=O)O)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid?
The InChIKey is PLCKKFSJKHIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si2/c1-19(2,3)15(20(4,5)6,13(16)14(17)18)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,17,18).
What are the key properties of 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid?
2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid has a molecular weight of 308.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenyl-3,3-bis(trimethylsilyl)propanoic acid is sourced from PubChem (CID 102239962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).