trimethylsilyl 4-methyl-2-oxopentanoate

C9H18O3Si — CID 552379

IUPACtrimethylsilyl 4-methyl-2-oxopentanoate
SMILESCC(C)CC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7H,6H2,1-5H3
InChIKeyMCPFMKJHOFUFFW-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.98
Rot. Bonds4

About trimethylsilyl 4-methyl-2-oxopentanoate

trimethylsilyl 4-methyl-2-oxopentanoate (PubChem CID 552379) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is trimethylsilyl 4-methyl-2-oxopentanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-methyl-2-oxopentanoate
PubChem CID552379
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Nametrimethylsilyl 4-methyl-2-oxopentanoate
SMILESCC(C)CC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7H,6H2,1-5H3
InChIKeyMCPFMKJHOFUFFW-UHFFFAOYSA-N
XLogP1.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
CID 85989096
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
Trimethylsilyl 4-methyl-2-[(trimethylsilyl)oxy]pentanoate
CID 521553
4-Methylvaleric acid, tert-butyldimethylsilyl ester
CID 554785
tert-Butyl(dimethyl)silyl 4-methyl-2-oxopentanoate
CID 71329341
3-Methyl-2-oxovaleric acid, TMS derivative
CID 86150055
Trimethylsilyl 3-methylvalerate
CID 91697307
[Diethyl(methyl)silyl] 4-methylpentanoate
CID 170849347
Valpropic acid, TMS
CID 91749626
Trimethylsilyl 2-oxopentanoate
CID 530075
2,3,4-Trimethylpentanoic acid, trimethylsilyl ester
CID 553022

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methyl-2-oxopentanoate?
The IUPAC name of trimethylsilyl 4-methyl-2-oxopentanoate (CID 552379) is trimethylsilyl 4-methyl-2-oxopentanoate.
What is the SMILES notation for trimethylsilyl 4-methyl-2-oxopentanoate?
The canonical SMILES for trimethylsilyl 4-methyl-2-oxopentanoate is CC(C)CC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-methyl-2-oxopentanoate?
The InChIKey is MCPFMKJHOFUFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7H,6H2,1-5H3.
What are the key properties of trimethylsilyl 4-methyl-2-oxopentanoate?
trimethylsilyl 4-methyl-2-oxopentanoate has a molecular weight of 202.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-methyl-2-oxopentanoate is sourced from PubChem (CID 552379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).