trimethylsilyl 3-oxopentanoate

C8H16O3Si — CID 523682

IUPACtrimethylsilyl 3-oxopentanoate
SMILESCCC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-5-7(9)6-8(10)11-12(2,3)4/h5-6H2,1-4H3
InChIKeyBOPHYICVYUYPGN-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.73
Rot. Bonds4

About trimethylsilyl 3-oxopentanoate

trimethylsilyl 3-oxopentanoate (PubChem CID 523682) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is trimethylsilyl 3-oxopentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-oxopentanoate
PubChem CID523682
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Nametrimethylsilyl 3-oxopentanoate
SMILESCCC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-5-7(9)6-8(10)11-12(2,3)4/h5-6H2,1-4H3
InChIKeyBOPHYICVYUYPGN-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Valeric acid, trimethylsilyl ester
CID 520262
Pentanoic acid, 4-oxo-, trimethylsilyl ester
CID 554485
Trimethylsilyl 3-oxobutanoate
CID 14010503
3-Ketoglutaric acid, TMS # 2
CID 91749593
Trimethylsilyl 2-oxopentanoate
CID 530075
(2-Trimethylsilylethyl) 3-oxovalerate
CID 23595852
Trimethylsilyl 3-oxohexaneperoxoate
CID 159049385
[Dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate
CID 175761895
[Tert-butyl(dimethyl)silyl] 3-oxobutanoate
CID 11333411
Methyl 3-oxo-5-trimethylsilylpentanoate
CID 21671563
Tert-butyl 3-oxo-5-trimethylsilylpentanoate
CID 21671565
Ethyl 3-oxo-5-trimethylsilylpentanoate
CID 125490217

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-oxopentanoate?
The IUPAC name of trimethylsilyl 3-oxopentanoate (CID 523682) is trimethylsilyl 3-oxopentanoate.
What is the SMILES notation for trimethylsilyl 3-oxopentanoate?
The canonical SMILES for trimethylsilyl 3-oxopentanoate is CCC(=O)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-oxopentanoate?
The InChIKey is BOPHYICVYUYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-5-7(9)6-8(10)11-12(2,3)4/h5-6H2,1-4H3.
What are the key properties of trimethylsilyl 3-oxopentanoate?
trimethylsilyl 3-oxopentanoate has a molecular weight of 188.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-oxopentanoate is sourced from PubChem (CID 523682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).