ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate

C17H26F2O4Si — CID 153447732

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccc1O
InChIInChI=1S/C17H26F2O4Si/c1-7-22-15(21)14(23-24(5,6)16(2,3)4)17(18,19)12-10-8-9-11-13(12)20/h8-11,14,20H,7H2,1-6H3
InChIKeyKTADJJGVNADSJY-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.44
Rot. Bonds6

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate (PubChem CID 153447732) has the molecular formula C17H26F2O4Si and a molecular weight of 360.47 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate
PubChem CID153447732
Molecular FormulaC17H26F2O4Si
Molecular Weight360.47 g/mol
Exact Mass360.16
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccc1O
InChIInChI=1S/C17H26F2O4Si/c1-7-22-15(21)14(23-24(5,6)16(2,3)4)17(18,19)12-10-8-9-11-13(12)20/h8-11,14,20H,7H2,1-6H3
InChIKeyKTADJJGVNADSJY-UHFFFAOYSA-N
XLogP4.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.44
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 ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate (CID 153447732) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate is CCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccc1O.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate?
The InChIKey is KTADJJGVNADSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2O4Si/c1-7-22-15(21)14(23-24(5,6)16(2,3)4)17(18,19)12-10-8-9-11-13(12)20/h8-11,14,20H,7H2,1-6H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate has a molecular weight of 360.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 153447732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).