1-ethoxyethyl 2-oxocyclopentane-1-carboxylate

C10H16O4 — CID 19099686

IUPAC1-ethoxyethyl 2-oxocyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCCC1=O
InChIInChI=1S/C10H16O4/c1-3-13-7(2)14-10(12)8-5-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChIKeyXOWDLXPVITZIOD-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds4

About 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate

1-ethoxyethyl 2-oxocyclopentane-1-carboxylate (PubChem CID 19099686) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Name1-ethoxyethyl 2-oxocyclopentane-1-carboxylate
PubChem CID19099686
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-ethoxyethyl 2-oxocyclopentane-1-carboxylate
SMILESCCOC(C)OC(=O)C1CCCC1=O
InChIInChI=1S/C10H16O4/c1-3-13-7(2)14-10(12)8-5-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChIKeyXOWDLXPVITZIOD-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate?
The IUPAC name of 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate (CID 19099686) is 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate?
The canonical SMILES for 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate is CCOC(C)OC(=O)C1CCCC1=O.
What is the InChIKey of 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate?
The InChIKey is XOWDLXPVITZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-13-7(2)14-10(12)8-5-4-6-9(8)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate?
1-ethoxyethyl 2-oxocyclopentane-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 19099686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).