diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate

C22H30O5Si — CID 11200477

IUPACdiethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C/[Si](C)(C)c2ccccc2)C(CC=O)C1
InChIInChI=1S/C22H30O5Si/c1-5-26-20(24)22(21(25)27-6-2)14-17(12-13-23)18(15-22)16-28(3,4)19-10-8-7-9-11-19/h7-11,13,16-17H,5-6,12,14-15H2,1-4H3/b18-16-
InChIKeySKTAREBCTPTMJH-VLGSPTGOSA-N
MW402.56 g/mol
LogP3.18
Rot. Bonds8

About diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate

diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate (PubChem CID 11200477) has the molecular formula C22H30O5Si and a molecular weight of 402.56 g/mol. Its IUPAC name is diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate
PubChem CID11200477
Molecular FormulaC22H30O5Si
Molecular Weight402.56 g/mol
Exact Mass402.19
IUPAC Namediethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C/[Si](C)(C)c2ccccc2)C(CC=O)C1
InChIInChI=1S/C22H30O5Si/c1-5-26-20(24)22(21(25)27-6-2)14-17(12-13-23)18(15-22)16-28(3,4)19-10-8-7-9-11-19/h7-11,13,16-17H,5-6,12,14-15H2,1-4H3/b18-16-
InChIKeySKTAREBCTPTMJH-VLGSPTGOSA-N
XLogP3.18
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (2-phenylpropan-2-yl)propanedioate
CID 298884
dimethyl (2S,3S,4S)-4-(2-ethoxy-2-oxoethyl)-2-(4-fluorophenyl)-3-formylcyclopentane-1,1-dicarboxylate
CID 102086148
Diethyl 6-fluoro-7-methyl-1-phenylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 102259531
Diethyl 3-(phenylselanylmethyl)cyclopentane-1,1-dicarboxylate
CID 11760759
diethyl 2-[(2R)-1-oxo-3-phenylpropan-2-yl]propanedioate
CID 102390992
Diethyl allyl(benzyl)malonate
CID 11130029
Diethyl 2-methyl-2-phenethylmalonate
CID 15262510
Diethyl 2-methyl-2-(3-phenylpropyl)malonate
CID 18625691
Diethyl 2-[2-(5-fluoro-4-phenyl-1-propylcyclohexa-2,4-dien-1-yl)ethyl]propanedioate
CID 118453555
Diethyl 2-benzyl-2-propylpropanedioate
CID 316353
Diethyl 3-phenyl-1,1-cyclobutanedicarboxylate
CID 568955
Diethyl 2-(2-phenyl-2-propenyl)malonate
CID 582424

Frequently Asked Questions

What is the IUPAC name of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate (CID 11200477) is diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C/C(=C/[Si](C)(C)c2ccccc2)C(CC=O)C1.
What is the InChIKey of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is SKTAREBCTPTMJH-VLGSPTGOSA-N. The full InChI is InChI=1S/C22H30O5Si/c1-5-26-20(24)22(21(25)27-6-2)14-17(12-13-23)18(15-22)16-28(3,4)19-10-8-7-9-11-19/h7-11,13,16-17H,5-6,12,14-15H2,1-4H3/b18-16-.
What are the key properties of diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate?
diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 402.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).