diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate

C11H16O4 — CID 14936176

IUPACdiethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C11H16O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h5,9H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyWNVXZAQVCGCLKN-SECBINFHSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds4

About diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate

diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate (PubChem CID 14936176) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate
PubChem CID14936176
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C11H16O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h5,9H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyWNVXZAQVCGCLKN-SECBINFHSA-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

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Frequently Asked Questions

What is the IUPAC name of diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate?
The IUPAC name of diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate (CID 14936176) is diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate.
What is the SMILES notation for diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate?
The canonical SMILES for diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate is CCOC(=O)C1=CC[C@@H](C(=O)OCC)C1.
What is the InChIKey of diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate?
The InChIKey is WNVXZAQVCGCLKN-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h5,9H,3-4,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of diethyl (1R)-cyclopent-3-ene-1,3-dicarboxylate?
diethyl (1R)-cyclopent-3-ene-1,3-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 (1R)-cyclopent-3-ene-1,3-dicarboxylate is sourced from PubChem (CID 14936176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).