diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate

C21H30O4Si — CID 11222583

IUPACdiethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C/[Si](C)(C)c2ccccc2)C(C)C1
InChIInChI=1S/C21H30O4Si/c1-6-24-19(22)21(20(23)25-7-2)13-16(3)17(14-21)15-26(4,5)18-11-9-8-10-12-18/h8-12,15-16H,6-7,13-14H2,1-5H3/b17-15-
InChIKeyIVBQZHGLDMZKMK-ICFOKQHNSA-N
MW374.55 g/mol
LogP3.61
Rot. Bonds6

About diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate

diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 11222583) has the molecular formula C21H30O4Si and a molecular weight of 374.55 g/mol. Its IUPAC name is diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID11222583
Molecular FormulaC21H30O4Si
Molecular Weight374.55 g/mol
Exact Mass374.19
IUPAC Namediethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C/[Si](C)(C)c2ccccc2)C(C)C1
InChIInChI=1S/C21H30O4Si/c1-6-24-19(22)21(20(23)25-7-2)13-16(3)17(14-21)15-26(4,5)18-11-9-8-10-12-18/h8-12,15-16H,6-7,13-14H2,1-5H3/b17-15-
InChIKeyIVBQZHGLDMZKMK-ICFOKQHNSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate 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 diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate (CID 11222583) is diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C/C(=C/[Si](C)(C)c2ccccc2)C(C)C1.
What is the InChIKey of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is IVBQZHGLDMZKMK-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H30O4Si/c1-6-24-19(22)21(20(23)25-7-2)13-16(3)17(14-21)15-26(4,5)18-11-9-8-10-12-18/h8-12,15-16H,6-7,13-14H2,1-5H3/b17-15-.
What are the key properties of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate?
diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 374.55 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11222583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).