(3-oxocyclopentyl) acetate

C7H10O3 — CID 22754086

IUPAC(3-oxocyclopentyl) acetate
SMILESCC(=O)OC1CCC(=O)C1
InChIInChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h7H,2-4H2,1H3
InChIKeyORIWALZMHBORDX-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.67
Rot. Bonds1

About (3-oxocyclopentyl) acetate

(3-oxocyclopentyl) acetate (PubChem CID 22754086) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3-oxocyclopentyl) acetate.

Molecular Properties

Compound Name(3-oxocyclopentyl) acetate
PubChem CID22754086
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3-oxocyclopentyl) acetate
SMILESCC(=O)OC1CCC(=O)C1
InChIInChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h7H,2-4H2,1H3
InChIKeyORIWALZMHBORDX-UHFFFAOYSA-N
XLogP0.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclopentyl) acetate?
The IUPAC name of (3-oxocyclopentyl) acetate (CID 22754086) is (3-oxocyclopentyl) acetate.
What is the SMILES notation for (3-oxocyclopentyl) acetate?
The canonical SMILES for (3-oxocyclopentyl) acetate is CC(=O)OC1CCC(=O)C1.
What is the InChIKey of (3-oxocyclopentyl) acetate?
The InChIKey is ORIWALZMHBORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h7H,2-4H2,1H3.
What are the key properties of (3-oxocyclopentyl) acetate?
(3-oxocyclopentyl) acetate has a molecular weight of 142.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopentyl) acetate is sourced from PubChem (CID 22754086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).