methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate

C23H32O3Si — CID 11509262

IUPACmethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate
SMILESCOC(=O)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C23H32O3Si/c1-17-13-15-19(16-14-17)21(26-27(6,7)23(2,3)4)20(22(24)25-5)18-11-9-8-10-12-18/h8-16,20-21H,1-7H3/t20-,21+/m1/s1
InChIKeyRUWVWLFIISYPJZ-RTWAWAEBSA-N
MW384.59 g/mol
LogP6.01
Rot. Bonds6

About methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate (PubChem CID 11509262) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate
PubChem CID11509262
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate
SMILESCOC(=O)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C23H32O3Si/c1-17-13-15-19(16-14-17)21(26-27(6,7)23(2,3)4)20(22(24)25-5)18-11-9-8-10-12-18/h8-16,20-21H,1-7H3/t20-,21+/m1/s1
InChIKeyRUWVWLFIISYPJZ-RTWAWAEBSA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 56.01
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 (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate?
The IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate (CID 11509262) is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate.
What is the SMILES notation for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate?
The canonical SMILES for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate is COC(=O)[C@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate?
The InChIKey is RUWVWLFIISYPJZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-17-13-15-19(16-14-17)21(26-27(6,7)23(2,3)4)20(22(24)25-5)18-11-9-8-10-12-18/h8-16,20-21H,1-7H3/t20-,21+/m1/s1.
What are the key properties of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate?
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate has a molecular weight of 384.59 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenyl)-2-phenylpropanoate is sourced from PubChem (CID 11509262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).