methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate

C18H30O4Si2 — CID 22165853

IUPACmethyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
SMILESCOC(=O)C(c1cccc(C(C(=O)OC)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C18H30O4Si2/c1-21-17(19)15(23(3,4)5)13-10-9-11-14(12-13)16(18(20)22-2)24(6,7)8/h9-12,15-16H,1-8H3
InChIKeyUTIUGDBEXFBHHW-UHFFFAOYSA-N
MW366.61 g/mol
LogP3.95
Rot. Bonds6

About methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate

methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate (PubChem CID 22165853) has the molecular formula C18H30O4Si2 and a molecular weight of 366.61 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
PubChem CID22165853
Molecular FormulaC18H30O4Si2
Molecular Weight366.61 g/mol
Exact Mass366.17
IUPAC Namemethyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
SMILESCOC(=O)C(c1cccc(C(C(=O)OC)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C18H30O4Si2/c1-21-17(19)15(23(3,4)5)13-10-9-11-14(12-13)16(18(20)22-2)24(6,7)8/h9-12,15-16H,1-8H3
InChIKeyUTIUGDBEXFBHHW-UHFFFAOYSA-N
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.61
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate
CID 15864605
methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
CID 91900402
methyl 2-amino-2-(3-propan-2-ylphenyl)acetate
CID 20824071
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
CID 138987849
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate?
The IUPAC name of methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate (CID 22165853) is methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate is COC(=O)C(c1cccc(C(C(=O)OC)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate?
The InChIKey is UTIUGDBEXFBHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si2/c1-21-17(19)15(23(3,4)5)13-10-9-11-14(12-13)16(18(20)22-2)24(6,7)8/h9-12,15-16H,1-8H3.
What are the key properties of methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate?
methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate has a molecular weight of 366.61 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate is sourced from PubChem (CID 22165853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).