(2-hydroxy-3-oxocyclopenten-1-yl) acetate

C7H8O4 — CID 66829818

IUPAC(2-hydroxy-3-oxocyclopenten-1-yl) acetate
SMILESCC(=O)OC1=C(O)C(=O)CC1
InChIInChI=1S/C7H8O4/c1-4(8)11-6-3-2-5(9)7(6)10/h10H,2-3H2,1H3
InChIKeyVQIBJAFYBLCKHF-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.68
Rot. Bonds1

About (2-hydroxy-3-oxocyclopenten-1-yl) acetate

(2-hydroxy-3-oxocyclopenten-1-yl) acetate (PubChem CID 66829818) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2-hydroxy-3-oxocyclopenten-1-yl) acetate.

Molecular Properties

Compound Name(2-hydroxy-3-oxocyclopenten-1-yl) acetate
PubChem CID66829818
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(2-hydroxy-3-oxocyclopenten-1-yl) acetate
SMILESCC(=O)OC1=C(O)C(=O)CC1
InChIInChI=1S/C7H8O4/c1-4(8)11-6-3-2-5(9)7(6)10/h10H,2-3H2,1H3
InChIKeyVQIBJAFYBLCKHF-UHFFFAOYSA-N
XLogP0.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-oxocyclopenten-1-yl) acetate?
The IUPAC name of (2-hydroxy-3-oxocyclopenten-1-yl) acetate (CID 66829818) is (2-hydroxy-3-oxocyclopenten-1-yl) acetate.
What is the SMILES notation for (2-hydroxy-3-oxocyclopenten-1-yl) acetate?
The canonical SMILES for (2-hydroxy-3-oxocyclopenten-1-yl) acetate is CC(=O)OC1=C(O)C(=O)CC1.
What is the InChIKey of (2-hydroxy-3-oxocyclopenten-1-yl) acetate?
The InChIKey is VQIBJAFYBLCKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-4(8)11-6-3-2-5(9)7(6)10/h10H,2-3H2,1H3.
What are the key properties of (2-hydroxy-3-oxocyclopenten-1-yl) acetate?
(2-hydroxy-3-oxocyclopenten-1-yl) acetate has a molecular weight of 156.14 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-oxocyclopenten-1-yl) acetate is sourced from PubChem (CID 66829818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).