methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate

C21H28O4Si — CID 10406975

IUPACmethyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate
SMILESCOC(=O)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-15-19(22)20(23)24-4/h5-14,19,22H,15-16H2,1-4H3/t19-/m0/s1
InChIKeyYKBMJQPUPULJBC-IBGZPJMESA-N
MW372.54 g/mol
LogP2.49
Rot. Bonds7

About methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate

methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate (PubChem CID 10406975) has the molecular formula C21H28O4Si and a molecular weight of 372.54 g/mol. Its IUPAC name is methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate
PubChem CID10406975
Molecular FormulaC21H28O4Si
Molecular Weight372.54 g/mol
Exact Mass372.18
IUPAC Namemethyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate
SMILESCOC(=O)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-15-19(22)20(23)24-4/h5-14,19,22H,15-16H2,1-4H3/t19-/m0/s1
InChIKeyYKBMJQPUPULJBC-IBGZPJMESA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
The IUPAC name of methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate (CID 10406975) is methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate.
What is the SMILES notation for methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
The canonical SMILES for methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate is COC(=O)[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
The InChIKey is YKBMJQPUPULJBC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28O4Si/c1-21(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-15-19(22)20(23)24-4/h5-14,19,22H,15-16H2,1-4H3/t19-/m0/s1.
What are the key properties of methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate?
methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate has a molecular weight of 372.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybutanoate is sourced from PubChem (CID 10406975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).