cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

C11H16O5 — CID 26967535

IUPACcis-diethyl (1S,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+
InChIKeyGRPKMLGYFVVOJS-DTORHVGOSA-N
MW228.24 g/mol
LogP0.71
Rot. Bonds4

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

cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate (PubChem CID 26967535) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
PubChem CID26967535
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namecis-diethyl (1S,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+
InChIKeyGRPKMLGYFVVOJS-DTORHVGOSA-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

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Related Compounds

ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 163993151
diethyl 4-oxocyclohexane-1,2-dicarboxylate
CID 14062941
ethyl (1R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 166968043
ethyl 2-(cyanomethylcarbamoyl)-4-oxocyclopentane-1-carboxylate
CID 91236922
trans-diethyl (1S,2S)-4-propan-2-ylidenecyclopentane-1,2-dicarboxylate
CID 22215804
cis-ethyl (1R,2S)-2-[2-(2,6-diethyl-4-methylphenyl)acetyl]-4-oxocyclopentane-1-carboxylate
CID 46214799
(1R,6R)-6-ethoxycarbonyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 36691021
diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
CID 101129718
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
diethyl 4-methylcyclohex-4-ene-1,2-dicarboxylate
CID 564350

Frequently Asked Questions

What is the IUPAC name of cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The IUPAC name of cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate (CID 26967535) is cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate.
What is the SMILES notation for cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The canonical SMILES for cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate is CCOC(=O)[C@H]1CC(=O)C[C@H]1C(=O)OCC.
What is the InChIKey of cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
The InChIKey is GRPKMLGYFVVOJS-DTORHVGOSA-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+.
What are the key properties of cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate?
cis-diethyl (1S,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 cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 26967535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).