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'}

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Related Compounds

Diethyl 3-(phenylselanylmethyl)cyclopentane-1,1-dicarboxylate
CID 11760759
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(triphenylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686400
diethyl 3-[(E)-2-phenylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 10935929
trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 10738321
diethyl 3-methyl-4-[(E)-2-phenylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 11012888
diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate
CID 11200477
dimethyl (4Z)-3-ethenyl-4-(1-phenylethylidene)cyclopentane-1,1-dicarboxylate
CID 11347559
cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 15473513
diethyl (4E)-3-(phenylselanylmethyl)-4-(phenylselanylmethylidene)cyclopentane-1,1-dicarboxylate
CID 15724414
diethyl (3Z)-3-benzylidene-4-ethenyl-2-methylcyclopentane-1,1-dicarboxylate
CID 15833847
diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate
CID 24881698
diethyl (3E,4Z)-3-ethylidene-4-(1-phenylethylidene)cyclopentane-1,1-dicarboxylate
CID 46210092

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).