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

C20H26O4Si — CID 21255857

IUPACmethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate
SMILESCOC(=O)C(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O4Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21)19(22)23-4/h5-14,18,21H,15H2,1-4H3
InChIKeyQHXXMXUPJKWSSD-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.10
Rot. Bonds6

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

methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate (PubChem CID 21255857) has the molecular formula C20H26O4Si and a molecular weight of 358.51 g/mol. Its IUPAC name is methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate
PubChem CID21255857
Molecular FormulaC20H26O4Si
Molecular Weight358.51 g/mol
Exact Mass358.16
IUPAC Namemethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate
SMILESCOC(=O)C(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O4Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21)19(22)23-4/h5-14,18,21H,15H2,1-4H3
InChIKeyQHXXMXUPJKWSSD-UHFFFAOYSA-N
XLogP2.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.10
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 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate?
The IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate (CID 21255857) is methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate is COC(=O)C(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate?
The InChIKey is QHXXMXUPJKWSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21)19(22)23-4/h5-14,18,21H,15H2,1-4H3.
What are the key properties of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate?
methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate has a molecular weight of 358.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanoate is sourced from PubChem (CID 21255857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).