methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate

C15H24O3Si — CID 11087186

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(5,6)18-13(14(16)17-4)12-10-8-7-9-11-12/h7-11,13H,1-6H3/t13-/m0/s1
InChIKeyPSBCHRFOEVKNBI-ZDUSSCGKSA-N
MW280.44 g/mol
LogP3.92
Rot. Bonds4

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate (PubChem CID 11087186) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
PubChem CID11087186
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24O3Si/c1-15(2,3)19(5,6)18-13(14(16)17-4)12-10-8-7-9-11-12/h7-11,13H,1-6H3/t13-/m0/s1
InChIKeyPSBCHRFOEVKNBI-ZDUSSCGKSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 13050
CID 13050
CID 107202
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CID 78066
CID 78066
CID 95396
CID 95396
CID 643570
CID 643570
CID 21565
CID 21565
CID 23687864
CID 23687864
CID 344720
CID 344720
CID 2724294
CID 2724294
CID 2724623
CID 2724623
CID 20071
CID 20071
CID 10890342
CID 10890342

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate (CID 11087186) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate is COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
The InChIKey is PSBCHRFOEVKNBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-15(2,3)19(5,6)18-13(14(16)17-4)12-10-8-7-9-11-12/h7-11,13H,1-6H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate has a molecular weight of 280.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate is sourced from PubChem (CID 11087186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).