trimethylsilyl 2,2-dimethyl-3-phenylpropanoate

C14H22O2Si — CID 102019506

IUPACtrimethylsilyl 2,2-dimethyl-3-phenylpropanoate
SMILESCC(C)(Cc1ccccc1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H22O2Si/c1-14(2,13(15)16-17(3,4)5)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyVQUUSCKMGHRAPL-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.63
Rot. Bonds4

About trimethylsilyl 2,2-dimethyl-3-phenylpropanoate

trimethylsilyl 2,2-dimethyl-3-phenylpropanoate (PubChem CID 102019506) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is trimethylsilyl 2,2-dimethyl-3-phenylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,2-dimethyl-3-phenylpropanoate
PubChem CID102019506
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Nametrimethylsilyl 2,2-dimethyl-3-phenylpropanoate
SMILESCC(C)(Cc1ccccc1)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H22O2Si/c1-14(2,13(15)16-17(3,4)5)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyVQUUSCKMGHRAPL-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
methyl (2R)-2-methoxy-2-methyl-3-phenylpropanoate
CID 57421207
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
trimethylsilyl 4-phenylbutanoate
CID 523833
2-decyltetradecyl 2,2-dimethyl-3-phenylpropanoate
CID 129279392
1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
CID 19758093

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,2-dimethyl-3-phenylpropanoate?
The IUPAC name of trimethylsilyl 2,2-dimethyl-3-phenylpropanoate (CID 102019506) is trimethylsilyl 2,2-dimethyl-3-phenylpropanoate.
What is the SMILES notation for trimethylsilyl 2,2-dimethyl-3-phenylpropanoate?
The canonical SMILES for trimethylsilyl 2,2-dimethyl-3-phenylpropanoate is CC(C)(Cc1ccccc1)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,2-dimethyl-3-phenylpropanoate?
The InChIKey is VQUUSCKMGHRAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-14(2,13(15)16-17(3,4)5)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of trimethylsilyl 2,2-dimethyl-3-phenylpropanoate?
trimethylsilyl 2,2-dimethyl-3-phenylpropanoate has a molecular weight of 250.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,2-dimethyl-3-phenylpropanoate is sourced from PubChem (CID 102019506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).