ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate

C12H24O3Si — CID 88894206

IUPACethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate
SMILESCCOC(=O)CC(C)(C)CC(=O)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-15-10(13)8-12(2,3)9-11(14)16(4,5)6/h7-9H2,1-6H3
InChIKeyJCZLWKQFBLUMBO-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.80
Rot. Bonds6

About ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate

ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate (PubChem CID 88894206) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate
PubChem CID88894206
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nameethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate
SMILESCCOC(=O)CC(C)(C)CC(=O)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-15-10(13)8-12(2,3)9-11(14)16(4,5)6/h7-9H2,1-6H3
InChIKeyJCZLWKQFBLUMBO-UHFFFAOYSA-N
XLogP2.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate 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 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate?
The IUPAC name of ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate (CID 88894206) is ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate.
What is the SMILES notation for ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate?
The canonical SMILES for ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate is CCOC(=O)CC(C)(C)CC(=O)[Si](C)(C)C.
What is the InChIKey of ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate?
The InChIKey is JCZLWKQFBLUMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-15-10(13)8-12(2,3)9-11(14)16(4,5)6/h7-9H2,1-6H3.
What are the key properties of ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate?
ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate has a molecular weight of 244.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-5-oxo-5-trimethylsilylpentanoate is sourced from PubChem (CID 88894206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).