3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate

C21H26O3Si — CID 10021049

IUPAC3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)CC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O3Si/c1-21(2,3)20(23)24-19(22)15-16-25(4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKeyGSMZXFMJMDBCGX-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.39
Rot. Bonds5

About 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate

3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate (PubChem CID 10021049) has the molecular formula C21H26O3Si and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
PubChem CID10021049
Molecular FormulaC21H26O3Si
Molecular Weight354.52 g/mol
Exact Mass354.17
IUPAC Name3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)CC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O3Si/c1-21(2,3)20(23)24-19(22)15-16-25(4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKeyGSMZXFMJMDBCGX-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
2,2-dimethylpropanoyl 4-oxopentanoate
CID 174793048
propan-2-yl 2-[methyl(diphenyl)silyl]acetate
CID 13197434
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
2,2-dimethylpropanoyl (3R)-3-methyl-4-phenylmethoxybutanoate
CID 134847009
[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate
CID 101449535
ethyl 2-[tert-butyl(dimethyl)silyl]-2-triphenylsilylacetate
CID 10790158
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
2-[dimethyl(triphenylsilyloxy)silyl]ethyl-dimethyl-triphenylsilyloxysilane
CID 140828433
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
bis(2-phenylacetyl) 2-chloro-2-methylpropanedioate
CID 173141166

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate?
The IUPAC name of 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate (CID 10021049) is 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate.
What is the SMILES notation for 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate?
The canonical SMILES for 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(=O)CC[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate?
The InChIKey is GSMZXFMJMDBCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3Si/c1-21(2,3)20(23)24-19(22)15-16-25(4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3.
What are the key properties of 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate?
3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate has a molecular weight of 354.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10021049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).