dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate

C17H28O4Si — CID 101217882

IUPACdimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate
SMILESC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C(/C)[Si](C)(C)CC
InChIInChI=1S/C17H28O4Si/c1-8-13-10-17(15(18)20-4,16(19)21-5)11-14(13)12(3)22(6,7)9-2/h8H,9-11H2,1-7H3/b13-8+,14-12-
InChIKeyPAAQAVIMEDTDFO-LOLOATOISA-N
MW324.49 g/mol
LogP3.64
Rot. Bonds4

About dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate

dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate (PubChem CID 101217882) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate
PubChem CID101217882
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namedimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate
SMILESC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C(/C)[Si](C)(C)CC
InChIInChI=1S/C17H28O4Si/c1-8-13-10-17(15(18)20-4,16(19)21-5)11-14(13)12(3)22(6,7)9-2/h8H,9-11H2,1-7H3/b13-8+,14-12-
InChIKeyPAAQAVIMEDTDFO-LOLOATOISA-N
XLogP3.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.64
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
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101130864
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
CID 11219328
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
CID 11416203
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
Dimethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11715653
dimethyl (3E)-3-(cyclohexylmethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13444357
dimethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13809214

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate (CID 101217882) is dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate is C/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C(/C)[Si](C)(C)CC.
What is the InChIKey of dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is PAAQAVIMEDTDFO-LOLOATOISA-N. The full InChI is InChI=1S/C17H28O4Si/c1-8-13-10-17(15(18)20-4,16(19)21-5)11-14(13)12(3)22(6,7)9-2/h8H,9-11H2,1-7H3/b13-8+,14-12-.
What are the key properties of dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 324.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z,4E)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101217882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).