dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C15H24O4Si — CID 11120024

IUPACdimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C15H24O4Si/c1-7-11-8-15(13(16)18-2,14(17)19-3)9-12(11)10-20(4,5)6/h7,10-11H,1,8-9H2,2-6H3/b12-10+
InChIKeyYERRJEFGVFCVIY-ZRDIBKRKSA-N
MW296.44 g/mol
LogP2.72
Rot. Bonds4

About dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 11120024) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID11120024
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namedimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C
InChIInChI=1S/C15H24O4Si/c1-7-11-8-15(13(16)18-2,14(17)19-3)9-12(11)10-20(4,5)6/h7,10-11H,1,8-9H2,2-6H3/b12-10+
InChIKeyYERRJEFGVFCVIY-ZRDIBKRKSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.72
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'}

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Related Compounds

dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (4E)-3-(2-methylpropoxy)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10020285
dimethyl (3Z)-3-(1-acetyloxyethylidene)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 102208222
dimethyl (3R)-3-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 102076885
dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate
CID 102214144
dimethyl (4Z)-3-ethenyl-4-(1-phenylpropylidene)cyclopentane-1,1-dicarboxylate
CID 15940750
dimethyl 3-methylidene-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 11791244
methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
dimethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 11289206
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
dimethyl 3-acetyl-5-methylcyclohex-3-ene-1,1-dicarboxylate
CID 101465744
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 11120024) is dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is C=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C\[Si](C)(C)C.
What is the InChIKey of dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is YERRJEFGVFCVIY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-11-8-15(13(16)18-2,14(17)19-3)9-12(11)10-20(4,5)6/h7,10-11H,1,8-9H2,2-6H3/b12-10+.
What are the key properties of dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11120024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).