4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid

C11H22O4Si — CID 22086156

IUPAC4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
SMILESCC(CCC(=O)O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-9(5-6-10(12)13)11(14)15-7-8-16(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyCEWCDPUOKNDRQI-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.37
Rot. Bonds7

About 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid

4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid (PubChem CID 22086156) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
PubChem CID22086156
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
SMILESCC(CCC(=O)O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O4Si/c1-9(5-6-10(12)13)11(14)15-7-8-16(2,3)4/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyCEWCDPUOKNDRQI-UHFFFAOYSA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The IUPAC name of 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid (CID 22086156) is 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid.
What is the SMILES notation for 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The canonical SMILES for 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid is CC(CCC(=O)O)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The InChIKey is CEWCDPUOKNDRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-9(5-6-10(12)13)11(14)15-7-8-16(2,3)4/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid has a molecular weight of 246.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid is sourced from PubChem (CID 22086156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).