2-dimethylsilyl-2-methyl-3-phenylpropanoic acid

C12H18O2Si — CID 150192897

IUPAC2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
SMILESC[SiH](C)C(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H18O2Si/c1-12(11(13)14,15(2)3)9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3,(H,13,14)
InChIKeyFNUXXLLDMCHONJ-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.56
Rot. Bonds4

About 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid

2-dimethylsilyl-2-methyl-3-phenylpropanoic acid (PubChem CID 150192897) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
PubChem CID150192897
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
SMILESC[SiH](C)C(C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H18O2Si/c1-12(11(13)14,15(2)3)9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3,(H,13,14)
InChIKeyFNUXXLLDMCHONJ-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.56
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

(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
(2S)-2-benzyl-2-methylbut-3-enoic acid
CID 93234010
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 114992406
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2,2-dimethylpropylbenzene;methanol
CID 157125736
chloro-tris(2-methyl-1-phenylpropan-2-yl)stannane
CID 70459923
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
CID 141409556
2-acetylsulfanyl-2-methyl-3-phenylpropanoic acid
CID 19764761

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid (CID 150192897) is 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid is C[SiH](C)C(C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid?
The InChIKey is FNUXXLLDMCHONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-12(11(13)14,15(2)3)9-10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3,(H,13,14).
What are the key properties of 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid?
2-dimethylsilyl-2-methyl-3-phenylpropanoic acid has a molecular weight of 222.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 150192897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).