diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate

C19H28O4Si — CID 11759844

IUPACdiethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/C#C[Si](C)(C)C
InChIInChI=1S/C19H28O4Si/c1-7-15-13-19(17(20)22-8-2,18(21)23-9-3)14-16(15)11-10-12-24(4,5)6/h7,11,15H,1,8-9,13-14H2,2-6H3/b16-11-
InChIKeyWPQCPBKSIPSBAD-WJDWOHSUSA-N
MW348.52 g/mol
LogP3.50
Rot. Bonds5

About diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate

diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 11759844) has the molecular formula C19H28O4Si and a molecular weight of 348.52 g/mol. Its IUPAC name is diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate
PubChem CID11759844
Molecular FormulaC19H28O4Si
Molecular Weight348.52 g/mol
Exact Mass348.18
IUPAC Namediethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/C#C[Si](C)(C)C
InChIInChI=1S/C19H28O4Si/c1-7-15-13-19(17(20)22-8-2,18(21)23-9-3)14-16(15)11-10-12-24(4,5)6/h7,11,15H,1,8-9,13-14H2,2-6H3/b16-11-
InChIKeyWPQCPBKSIPSBAD-WJDWOHSUSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
diethyl (3E)-3-ethylidene-4-propa-1,2-dienylcyclopentane-1,1-dicarboxylate
CID 10923888
diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 11121201
diethyl (3E)-3-ethylidene-4-[(E)-prop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 11288997
dimethyl (3E)-3-ethylidene-4-[(E)-prop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 11357202
dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
diethyl (4E)-3-ethenyl-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 11780453
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
diethyl (4E)-3-[(E)-but-1-enyl]-4-ethylidenecyclopentane-1,1-dicarboxylate
CID 15833846
dimethyl (3E,4E)-3-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]-4-[3-tri(propan-2-yl)silylprop-2-ynylidene]cyclopentane-1,1-dicarboxylate
CID 60167377
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884

Frequently Asked Questions

What is the IUPAC name of diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate (CID 11759844) is diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate is C=CC1CC(C(=O)OCC)(C(=O)OCC)C/C1=C/C#C[Si](C)(C)C.
What is the InChIKey of diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is WPQCPBKSIPSBAD-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H28O4Si/c1-7-15-13-19(17(20)22-8-2,18(21)23-9-3)14-16(15)11-10-12-24(4,5)6/h7,11,15H,1,8-9,13-14H2,2-6H3/b16-11-.
What are the key properties of diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate?
diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 348.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11759844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).