trimethylsilyl 2-oxopentanoate

C8H16O3Si — CID 530075

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

About trimethylsilyl 2-oxopentanoate

trimethylsilyl 2-oxopentanoate (PubChem CID 530075) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is trimethylsilyl 2-oxopentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxopentanoate
PubChem CID530075
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Nametrimethylsilyl 2-oxopentanoate
SMILESCCCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-5-6-7(9)8(10)11-12(2,3)4/h5-6H2,1-4H3
InChIKeyKXURKMKWKFOXLN-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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-oxopentanoate?
The IUPAC name of trimethylsilyl 2-oxopentanoate (CID 530075) is trimethylsilyl 2-oxopentanoate.
What is the SMILES notation for trimethylsilyl 2-oxopentanoate?
The canonical SMILES for trimethylsilyl 2-oxopentanoate is CCCC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxopentanoate?
The InChIKey is KXURKMKWKFOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-5-6-7(9)8(10)11-12(2,3)4/h5-6H2,1-4H3.
What are the key properties of trimethylsilyl 2-oxopentanoate?
trimethylsilyl 2-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 2-oxopentanoate is sourced from PubChem (CID 530075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).