methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate

C10H17F3O4Si — CID 11558300

IUPACmethyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate
SMILESCOC(=O)C(CCC=O)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3O4Si/c1-16-8(15)9(6-5-7-14,10(11,12)13)17-18(2,3)4/h7H,5-6H2,1-4H3
InChIKeyPMJYHFUZHBVSLO-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.29
Rot. Bonds6

About methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate

methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate (PubChem CID 11558300) has the molecular formula C10H17F3O4Si and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate
PubChem CID11558300
Molecular FormulaC10H17F3O4Si
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Namemethyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate
SMILESCOC(=O)C(CCC=O)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3O4Si/c1-16-8(15)9(6-5-7-14,10(11,12)13)17-18(2,3)4/h7H,5-6H2,1-4H3
InChIKeyPMJYHFUZHBVSLO-UHFFFAOYSA-N
XLogP2.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(trifluoromethyl)-2-trimethylsilyloxypentanoate
CID 16123939
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate
CID 135066118
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
CID 11108990

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate?
The IUPAC name of methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate (CID 11558300) is methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate.
What is the SMILES notation for methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate?
The canonical SMILES for methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate is COC(=O)C(CCC=O)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate?
The InChIKey is PMJYHFUZHBVSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O4Si/c1-16-8(15)9(6-5-7-14,10(11,12)13)17-18(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate?
methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate has a molecular weight of 286.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2-(trifluoromethyl)-2-trimethylsilyloxypentanoate is sourced from PubChem (CID 11558300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).