2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid

C14H22O2Si — CID 174920111

IUPAC2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22O2Si/c1-14(2,13(15)16)12(17(3,4)5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,15,16)
InChIKeyFDBAOZSFVVCSGF-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.76
Rot. Bonds4

About 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid

2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid (PubChem CID 174920111) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid
PubChem CID174920111
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid
SMILESCC(C)(C(=O)O)C(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H22O2Si/c1-14(2,13(15)16)12(17(3,4)5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,15,16)
InChIKeyFDBAOZSFVVCSGF-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate
CID 101122467
3-fluoro-2,2-dimethyl-3-(3-methylphenyl)propanoic acid
CID 105464052
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
CID 555334
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
2,2,3-trimethyl-5-phenylpentanoic acid
CID 66734335
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid?
The IUPAC name of 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid (CID 174920111) is 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid is CC(C)(C(=O)O)C(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid?
The InChIKey is FDBAOZSFVVCSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,13(15)16)12(17(3,4)5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid?
2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid has a molecular weight of 250.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-3-trimethylsilylpropanoic acid is sourced from PubChem (CID 174920111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).