diethyl cyclopent-3-ene-1,1-dicarboxylate

C11H16O4 — CID 10987569

IUPACdiethyl cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=CC1
InChIInChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyAYKIAWRITOYVSR-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds4

About diethyl cyclopent-3-ene-1,1-dicarboxylate

diethyl cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 10987569) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl cyclopent-3-ene-1,1-dicarboxylate
PubChem CID10987569
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=CC1
InChIInChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyAYKIAWRITOYVSR-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl cyclopent-3-ene-1,1-dicarboxylate (CID 10987569) is diethyl cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl cyclopent-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=CC1.
What is the InChIKey of diethyl cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is AYKIAWRITOYVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of diethyl cyclopent-3-ene-1,1-dicarboxylate?
diethyl cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 10987569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).