trimethylsilyl cyclopentene-1-carboxylate

C9H16O2Si — CID 141424572

IUPACtrimethylsilyl cyclopentene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1=CCCC1
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-9(10)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyJCUWYSXFONZKIY-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.47
Rot. Bonds2

About trimethylsilyl cyclopentene-1-carboxylate

trimethylsilyl cyclopentene-1-carboxylate (PubChem CID 141424572) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is trimethylsilyl cyclopentene-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl cyclopentene-1-carboxylate
PubChem CID141424572
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Nametrimethylsilyl cyclopentene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1=CCCC1
InChIInChI=1S/C9H16O2Si/c1-12(2,3)11-9(10)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyJCUWYSXFONZKIY-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethylsilyl cyclopentene-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 trimethylsilyl cyclopentene-1-carboxylate?
The IUPAC name of trimethylsilyl cyclopentene-1-carboxylate (CID 141424572) is trimethylsilyl cyclopentene-1-carboxylate.
What is the SMILES notation for trimethylsilyl cyclopentene-1-carboxylate?
The canonical SMILES for trimethylsilyl cyclopentene-1-carboxylate is C[Si](C)(C)OC(=O)C1=CCCC1.
What is the InChIKey of trimethylsilyl cyclopentene-1-carboxylate?
The InChIKey is JCUWYSXFONZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)11-9(10)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3.
What are the key properties of trimethylsilyl cyclopentene-1-carboxylate?
trimethylsilyl cyclopentene-1-carboxylate has a molecular weight of 184.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl cyclopentene-1-carboxylate is sourced from PubChem (CID 141424572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).