ethyl 3-oxo-2-trimethylsilylbutanoate

C9H18O3Si — CID 18630636

IUPACethyl 3-oxo-2-trimethylsilylbutanoate
SMILESCCOC(=O)C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-12-9(11)8(7(2)10)13(3,4)5/h8H,6H2,1-5H3
InChIKeyJZQLUDFISSMMDK-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.85
Rot. Bonds4

About ethyl 3-oxo-2-trimethylsilylbutanoate

ethyl 3-oxo-2-trimethylsilylbutanoate (PubChem CID 18630636) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is ethyl 3-oxo-2-trimethylsilylbutanoate.

Molecular Properties

Compound Nameethyl 3-oxo-2-trimethylsilylbutanoate
PubChem CID18630636
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Nameethyl 3-oxo-2-trimethylsilylbutanoate
SMILESCCOC(=O)C(C(C)=O)[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-12-9(11)8(7(2)10)13(3,4)5/h8H,6H2,1-5H3
InChIKeyJZQLUDFISSMMDK-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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-trimethylsilylbutanoate?
The IUPAC name of ethyl 3-oxo-2-trimethylsilylbutanoate (CID 18630636) is ethyl 3-oxo-2-trimethylsilylbutanoate.
What is the SMILES notation for ethyl 3-oxo-2-trimethylsilylbutanoate?
The canonical SMILES for ethyl 3-oxo-2-trimethylsilylbutanoate is CCOC(=O)C(C(C)=O)[Si](C)(C)C.
What is the InChIKey of ethyl 3-oxo-2-trimethylsilylbutanoate?
The InChIKey is JZQLUDFISSMMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6-12-9(11)8(7(2)10)13(3,4)5/h8H,6H2,1-5H3.
What are the key properties of ethyl 3-oxo-2-trimethylsilylbutanoate?
ethyl 3-oxo-2-trimethylsilylbutanoate has a molecular weight of 202.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2-trimethylsilylbutanoate is sourced from PubChem (CID 18630636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).