trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate

C11H16O5 — CID 26967534

IUPACtrans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OCC
InChIInChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyGRPKMLGYFVVOJS-RKDXNWHRSA-N
MW228.24 g/mol
LogP0.71
Rot. Bonds4

About trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate

trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate (PubChem CID 26967534) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate
PubChem CID26967534
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nametrans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OCC
InChIInChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyGRPKMLGYFVVOJS-RKDXNWHRSA-N
XLogP0.71
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The IUPAC name of trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate (CID 26967534) is trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate.
What is the SMILES notation for trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The canonical SMILES for trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate is CCOC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OCC.
What is the InChIKey of trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The InChIKey is GRPKMLGYFVVOJS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h8-9H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate?
trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (1R,2R)-4-oxocyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 26967534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).