diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate

C13H16O5 — CID 15814402

IUPACdiethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2cocc2C1
InChIInChI=1S/C13H16O5/c1-3-17-11(14)13(12(15)18-4-2)5-9-7-16-8-10(9)6-13/h7-8H,3-6H2,1-2H3
InChIKeyVFOCESKZPJHHSF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.49
Rot. Bonds4

About diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate

diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate (PubChem CID 15814402) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
PubChem CID15814402
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namediethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2cocc2C1
InChIInChI=1S/C13H16O5/c1-3-17-11(14)13(12(15)18-4-2)5-9-7-16-8-10(9)6-13/h7-8H,3-6H2,1-2H3
InChIKeyVFOCESKZPJHHSF-UHFFFAOYSA-N
XLogP1.49
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
The IUPAC name of diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate (CID 15814402) is diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate.
What is the SMILES notation for diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
The canonical SMILES for diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate is CCOC(=O)C1(C(=O)OCC)Cc2cocc2C1.
What is the InChIKey of diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
The InChIKey is VFOCESKZPJHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-3-17-11(14)13(12(15)18-4-2)5-9-7-16-8-10(9)6-13/h7-8H,3-6H2,1-2H3.
What are the key properties of diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate?
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate is sourced from PubChem (CID 15814402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).