diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate

C16H26O4Si — CID 14931221

IUPACdiethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(/C=C/[Si](C)(C)C)C1
InChIInChI=1S/C16H26O4Si/c1-6-19-14(17)16(15(18)20-7-2)10-8-13(12-16)9-11-21(3,4)5/h8-9,11H,6-7,10,12H2,1-5H3/b11-9+
InChIKeyIXXYDSOGAGOULQ-PKNBQFBNSA-N
MW310.47 g/mol
LogP3.25
Rot. Bonds6

About diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate

diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 14931221) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
PubChem CID14931221
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namediethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(/C=C/[Si](C)(C)C)C1
InChIInChI=1S/C16H26O4Si/c1-6-19-14(17)16(15(18)20-7-2)10-8-13(12-16)9-11-21(3,4)5/h8-9,11H,6-7,10,12H2,1-5H3/b11-9+
InChIKeyIXXYDSOGAGOULQ-PKNBQFBNSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate (CID 14931221) is diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(/C=C/[Si](C)(C)C)C1.
What is the InChIKey of diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is IXXYDSOGAGOULQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-6-19-14(17)16(15(18)20-7-2)10-8-13(12-16)9-11-21(3,4)5/h8-9,11H,6-7,10,12H2,1-5H3/b11-9+.
What are the key properties of diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 14931221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).