2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate

C12H20O3Si — CID 155932574

IUPAC2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate
SMILESCC1=C(C(=O)OCC[Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C12H20O3Si/c1-9-5-6-10(13)11(9)12(14)15-7-8-16(2,3)4/h5-8H2,1-4H3
InChIKeyHCQDAPHEFBTZML-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.55
Rot. Bonds4

About 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate

2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate (PubChem CID 155932574) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate
PubChem CID155932574
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate
SMILESCC1=C(C(=O)OCC[Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C12H20O3Si/c1-9-5-6-10(13)11(9)12(14)15-7-8-16(2,3)4/h5-8H2,1-4H3
InChIKeyHCQDAPHEFBTZML-UHFFFAOYSA-N
XLogP2.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate 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 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate (CID 155932574) is 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate is CC1=C(C(=O)OCC[Si](C)(C)C)C(=O)CC1.
What is the InChIKey of 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate?
The InChIKey is HCQDAPHEFBTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-9-5-6-10(13)11(9)12(14)15-7-8-16(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate?
2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate has a molecular weight of 240.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-methyl-5-oxocyclopentene-1-carboxylate is sourced from PubChem (CID 155932574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).