diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate

C17H28O4Si — CID 14931223

IUPACdiethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(C[Si](C)(C)C)CC(C(=O)OCC)(C(=O)OCC)C1
InChIInChI=1S/C17H28O4Si/c1-7-13-10-17(15(18)20-8-2,16(19)21-9-3)11-14(13)12-22(4,5)6/h7H,1,8-12H2,2-6H3
InChIKeyMOPDIISBXUGEQR-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.71
Rot. Bonds7

About diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate

diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 14931223) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate
PubChem CID14931223
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namediethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(C[Si](C)(C)C)CC(C(=O)OCC)(C(=O)OCC)C1
InChIInChI=1S/C17H28O4Si/c1-7-13-10-17(15(18)20-8-2,16(19)21-9-3)11-14(13)12-22(4,5)6/h7H,1,8-12H2,2-6H3
InChIKeyMOPDIISBXUGEQR-UHFFFAOYSA-N
XLogP3.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.71
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-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979
diethyl 3-[(E)-2-methylhex-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101198579
diethyl 3-[(E)-pent-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101198583
Diethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
CID 15827924
Tetraethyl tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene-6,6,13,13-tetracarboxylate
CID 49858575
3-Cyclohexene-1,1-dicarboxylic acid, 3-ethenyl-, diethyl ester
CID 11779981
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
Diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 14931222
diethyl 2-[(2E,4E)-hexa-2,4-dienyl]-2-[(3E)-hexa-3,5-dienyl]propanedioate
CID 15655710

Frequently Asked Questions

What is the IUPAC name of diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate (CID 14931223) is diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate is C=CC1=C(C[Si](C)(C)C)CC(C(=O)OCC)(C(=O)OCC)C1.
What is the InChIKey of diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is MOPDIISBXUGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-7-13-10-17(15(18)20-8-2,16(19)21-9-3)11-14(13)12-22(4,5)6/h7H,1,8-12H2,2-6H3.
What are the key properties of diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 324.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 14931223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).