ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate

C11H22O4Si — CID 57333114

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate
SMILESCCOC(=O)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-14-10(13)9(12)8-15-16(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeyOYBXKNSXVBXLTH-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.14
Rot. Bonds5

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate (PubChem CID 57333114) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate
PubChem CID57333114
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate
SMILESCCOC(=O)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O4Si/c1-7-14-10(13)9(12)8-15-16(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeyOYBXKNSXVBXLTH-UHFFFAOYSA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate (CID 57333114) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate is CCOC(=O)C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate?
The InChIKey is OYBXKNSXVBXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-7-14-10(13)9(12)8-15-16(5,6)11(2,3)4/h7-8H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate has a molecular weight of 246.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropanoate is sourced from PubChem (CID 57333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).