ethyl (1R)-2-oxocyclopentane-1-carboxylate

C8H12O3 — CID 736719

IUPACethyl (1R)-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC1=O
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyJHZPNBKZPAWCJD-ZCFIWIBFSA-N
MW156.18 g/mol
LogP0.92
Rot. Bonds2

About ethyl (1R)-2-oxocyclopentane-1-carboxylate

ethyl (1R)-2-oxocyclopentane-1-carboxylate (PubChem CID 736719) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl (1R)-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-oxocyclopentane-1-carboxylate
PubChem CID736719
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl (1R)-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC1=O
InChIInChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyJHZPNBKZPAWCJD-ZCFIWIBFSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl (1R)-2-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-oxocyclopentane-1-carboxylate (CID 736719) is ethyl (1R)-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-oxocyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCCC1=O.
What is the InChIKey of ethyl (1R)-2-oxocyclopentane-1-carboxylate?
The InChIKey is JHZPNBKZPAWCJD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (1R)-2-oxocyclopentane-1-carboxylate?
ethyl (1R)-2-oxocyclopentane-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 736719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).