2-(5-oxocyclopenten-1-yl)ethyl acetate

C9H12O3 — CID 13075020

IUPAC2-(5-oxocyclopenten-1-yl)ethyl acetate
SMILESCC(=O)OCCC1=CCCC1=O
InChIInChI=1S/C9H12O3/c1-7(10)12-6-5-8-3-2-4-9(8)11/h3H,2,4-6H2,1H3
InChIKeyVSTIIHOAMGINQO-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds3

About 2-(5-oxocyclopenten-1-yl)ethyl acetate

2-(5-oxocyclopenten-1-yl)ethyl acetate (PubChem CID 13075020) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(5-oxocyclopenten-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-oxocyclopenten-1-yl)ethyl acetate
PubChem CID13075020
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(5-oxocyclopenten-1-yl)ethyl acetate
SMILESCC(=O)OCCC1=CCCC1=O
InChIInChI=1S/C9H12O3/c1-7(10)12-6-5-8-3-2-4-9(8)11/h3H,2,4-6H2,1H3
InChIKeyVSTIIHOAMGINQO-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxocyclopenten-1-yl)ethyl acetate?
The IUPAC name of 2-(5-oxocyclopenten-1-yl)ethyl acetate (CID 13075020) is 2-(5-oxocyclopenten-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-oxocyclopenten-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-oxocyclopenten-1-yl)ethyl acetate is CC(=O)OCCC1=CCCC1=O.
What is the InChIKey of 2-(5-oxocyclopenten-1-yl)ethyl acetate?
The InChIKey is VSTIIHOAMGINQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-7(10)12-6-5-8-3-2-4-9(8)11/h3H,2,4-6H2,1H3.
What are the key properties of 2-(5-oxocyclopenten-1-yl)ethyl acetate?
2-(5-oxocyclopenten-1-yl)ethyl acetate has a molecular weight of 168.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxocyclopenten-1-yl)ethyl acetate is sourced from PubChem (CID 13075020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).