ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate

C15H26O4Si — CID 66917280

IUPACethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate
SMILESCCOC(=O)CC1=CC(O[Si](CC)(CC)CC)CC1=O
InChIInChI=1S/C15H26O4Si/c1-5-18-15(17)10-12-9-13(11-14(12)16)19-20(6-2,7-3)8-4/h9,13H,5-8,10-11H2,1-4H3
InChIKeyXCNWPTOTZVBZCK-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.23
Rot. Bonds8

About ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate

ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate (PubChem CID 66917280) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate
PubChem CID66917280
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Nameethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate
SMILESCCOC(=O)CC1=CC(O[Si](CC)(CC)CC)CC1=O
InChIInChI=1S/C15H26O4Si/c1-5-18-15(17)10-12-9-13(11-14(12)16)19-20(6-2,7-3)8-4/h9,13H,5-8,10-11H2,1-4H3
InChIKeyXCNWPTOTZVBZCK-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate 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 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate?
The IUPAC name of ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate (CID 66917280) is ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate is CCOC(=O)CC1=CC(O[Si](CC)(CC)CC)CC1=O.
What is the InChIKey of ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate?
The InChIKey is XCNWPTOTZVBZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-5-18-15(17)10-12-9-13(11-14(12)16)19-20(6-2,7-3)8-4/h9,13H,5-8,10-11H2,1-4H3.
What are the key properties of ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate?
ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate has a molecular weight of 298.46 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)acetate is sourced from PubChem (CID 66917280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).