ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate

C10H20O3Si — CID 4116884

IUPACethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)C(C)=O
InChIInChI=1S/C10H20O3Si/c1-6-13-10(12)9(8(2)11)7-14(3,4)5/h9H,6-7H2,1-5H3
InChIKeyGITWIISZAZCPJE-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.09
Rot. Bonds5

About ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate

ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate (PubChem CID 4116884) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate.

Molecular Properties

Compound Nameethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
PubChem CID4116884
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Nameethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)C(C)=O
InChIInChI=1S/C10H20O3Si/c1-6-13-10(12)9(8(2)11)7-14(3,4)5/h9H,6-7H2,1-5H3
InChIKeyGITWIISZAZCPJE-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate?
The IUPAC name of ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate (CID 4116884) is ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate.
What is the SMILES notation for ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate?
The canonical SMILES for ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate is CCOC(=O)C(C[Si](C)(C)C)C(C)=O.
What is the InChIKey of ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate?
The InChIKey is GITWIISZAZCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-6-13-10(12)9(8(2)11)7-14(3,4)5/h9H,6-7H2,1-5H3.
What are the key properties of ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate?
ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate has a molecular weight of 216.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate is sourced from PubChem (CID 4116884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).