methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate

C18H36O2Si4 — CID 15864605

IUPACmethyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si4/c1-20-18(19)17(16-14-12-11-13-15-16)24(21(2,3)4,22(5,6)7)23(8,9)10/h11-15,17H,1-10H3/t17-/m0/s1
InChIKeyIGDDCEZWZXAQAM-KRWDZBQOSA-N
MW396.83 g/mol
LogP5.18
Rot. Bonds6

About methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate

methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate (PubChem CID 15864605) has the molecular formula C18H36O2Si4 and a molecular weight of 396.83 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate
PubChem CID15864605
Molecular FormulaC18H36O2Si4
Molecular Weight396.83 g/mol
Exact Mass396.18
IUPAC Namemethyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si4/c1-20-18(19)17(16-14-12-11-13-15-16)24(21(2,3)4,22(5,6)7)23(8,9)10/h11-15,17H,1-10H3/t17-/m0/s1
InChIKeyIGDDCEZWZXAQAM-KRWDZBQOSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.83
LogP ≤ 55.18
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

methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
CID 22165853
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
CID 10856539
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 3-chloro-3-oxo-2-phenylpropanoate
CID 12726479
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate?
The IUPAC name of methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate (CID 15864605) is methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate is COC(=O)[C@H](c1ccccc1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate?
The InChIKey is IGDDCEZWZXAQAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H36O2Si4/c1-20-18(19)17(16-14-12-11-13-15-16)24(21(2,3)4,22(5,6)7)23(8,9)10/h11-15,17H,1-10H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate?
methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate has a molecular weight of 396.83 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-tris(trimethylsilyl)silylacetate is sourced from PubChem (CID 15864605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).