methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate

C21H28O3Si — CID 11302759

IUPACmethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O3Si/c1-17(20(22)23-5)16-24-25(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/t17-/m0/s1
InChIKeyFEGOPXSXQDUYIB-KRWDZBQOSA-N
MW356.54 g/mol
LogP3.37
Rot. Bonds6

About methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate

methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate (PubChem CID 11302759) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate
PubChem CID11302759
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Namemethyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O3Si/c1-17(20(22)23-5)16-24-25(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/t17-/m0/s1
InChIKeyFEGOPXSXQDUYIB-KRWDZBQOSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate (CID 11302759) is methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate is COC(=O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate?
The InChIKey is FEGOPXSXQDUYIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-17(20(22)23-5)16-24-25(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/t17-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate?
methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate has a molecular weight of 356.54 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoate is sourced from PubChem (CID 11302759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).