[5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate

C11H14O7 — CID 10199038

IUPAC[5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate
SMILESCOCC(=O)OC1C=CC(=O)C1OC(=O)COC
InChIInChI=1S/C11H14O7/c1-15-5-9(13)17-8-4-3-7(12)11(8)18-10(14)6-16-2/h3-4,8,11H,5-6H2,1-2H3
InChIKeyJJJPIOGDQBUTMB-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.76
Rot. Bonds6

About [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate

[5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate (PubChem CID 10199038) has the molecular formula C11H14O7 and a molecular weight of 258.23 g/mol. Its IUPAC name is [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate
PubChem CID10199038
Molecular FormulaC11H14O7
Molecular Weight258.23 g/mol
Exact Mass258.07
IUPAC Name[5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate
SMILESCOCC(=O)OC1C=CC(=O)C1OC(=O)COC
InChIInChI=1S/C11H14O7/c1-15-5-9(13)17-8-4-3-7(12)11(8)18-10(14)6-16-2/h3-4,8,11H,5-6H2,1-2H3
InChIKeyJJJPIOGDQBUTMB-UHFFFAOYSA-N
XLogP-0.76
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate?
The IUPAC name of [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate (CID 10199038) is [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate.
What is the SMILES notation for [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate?
The canonical SMILES for [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate is COCC(=O)OC1C=CC(=O)C1OC(=O)COC.
What is the InChIKey of [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate?
The InChIKey is JJJPIOGDQBUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O7/c1-15-5-9(13)17-8-4-3-7(12)11(8)18-10(14)6-16-2/h3-4,8,11H,5-6H2,1-2H3.
What are the key properties of [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate?
[5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate has a molecular weight of 258.23 g/mol, XLogP of -0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyacetyl)oxy-4-oxocyclopent-2-en-1-yl] 2-methoxyacetate is sourced from PubChem (CID 10199038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).