diethyl cyclopentene-1,2-dicarboxylate

C11H16O4 — CID 12644248

IUPACdiethyl cyclopentene-1,2-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)CCC1
InChIInChI=1S/C11H16O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h3-7H2,1-2H3
InChIKeyWACLHMCDBDBKEM-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.59
Rot. Bonds4

About diethyl cyclopentene-1,2-dicarboxylate

diethyl cyclopentene-1,2-dicarboxylate (PubChem CID 12644248) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl cyclopentene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl cyclopentene-1,2-dicarboxylate
PubChem CID12644248
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl cyclopentene-1,2-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)CCC1
InChIInChI=1S/C11H16O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h3-7H2,1-2H3
InChIKeyWACLHMCDBDBKEM-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl cyclopentene-1,2-dicarboxylate?
The IUPAC name of diethyl cyclopentene-1,2-dicarboxylate (CID 12644248) is diethyl cyclopentene-1,2-dicarboxylate.
What is the SMILES notation for diethyl cyclopentene-1,2-dicarboxylate?
The canonical SMILES for diethyl cyclopentene-1,2-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)CCC1.
What is the InChIKey of diethyl cyclopentene-1,2-dicarboxylate?
The InChIKey is WACLHMCDBDBKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h3-7H2,1-2H3.
What are the key properties of diethyl cyclopentene-1,2-dicarboxylate?
diethyl cyclopentene-1,2-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl cyclopentene-1,2-dicarboxylate is sourced from PubChem (CID 12644248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).