methyl 2-oxo-5-triethylsilyloxyhexanoate

C13H26O4Si — CID 11334833

IUPACmethyl 2-oxo-5-triethylsilyloxyhexanoate
SMILESCC[Si](CC)(CC)OC(C)CCC(=O)C(=O)OC
InChIInChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)17-11(4)9-10-12(14)13(15)16-5/h11H,6-10H2,1-5H3
InChIKeyOLMZPOLHBPOVTD-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds9

About methyl 2-oxo-5-triethylsilyloxyhexanoate

methyl 2-oxo-5-triethylsilyloxyhexanoate (PubChem CID 11334833) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is methyl 2-oxo-5-triethylsilyloxyhexanoate.

Molecular Properties

Compound Namemethyl 2-oxo-5-triethylsilyloxyhexanoate
PubChem CID11334833
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namemethyl 2-oxo-5-triethylsilyloxyhexanoate
SMILESCC[Si](CC)(CC)OC(C)CCC(=O)C(=O)OC
InChIInChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)17-11(4)9-10-12(14)13(15)16-5/h11H,6-10H2,1-5H3
InChIKeyOLMZPOLHBPOVTD-UHFFFAOYSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 101365194
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11139869
[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
CID 10731983
[(2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-oxohexan-2-yl] acetate
CID 11196997
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11436899
[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxocyclohexyl] acetate
CID 11748157
Methyl 5-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 11807436
Ethyl 6-oxo-5-trimethylsilyloxyhexanoate
CID 21768081
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 46201677
Methyl 2-oxo-5-trimethylsilyloxyhexanoate
CID 46916014
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-oxohexanoate
CID 50901630
methyl (5R)-5-triethylsilyloxyhexanoate
CID 57332981

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5-triethylsilyloxyhexanoate?
The IUPAC name of methyl 2-oxo-5-triethylsilyloxyhexanoate (CID 11334833) is methyl 2-oxo-5-triethylsilyloxyhexanoate.
What is the SMILES notation for methyl 2-oxo-5-triethylsilyloxyhexanoate?
The canonical SMILES for methyl 2-oxo-5-triethylsilyloxyhexanoate is CC[Si](CC)(CC)OC(C)CCC(=O)C(=O)OC.
What is the InChIKey of methyl 2-oxo-5-triethylsilyloxyhexanoate?
The InChIKey is OLMZPOLHBPOVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)17-11(4)9-10-12(14)13(15)16-5/h11H,6-10H2,1-5H3.
What are the key properties of methyl 2-oxo-5-triethylsilyloxyhexanoate?
methyl 2-oxo-5-triethylsilyloxyhexanoate has a molecular weight of 274.43 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5-triethylsilyloxyhexanoate is sourced from PubChem (CID 11334833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).