2-(2-oxocyclopentyl)ethyl acetate

C9H14O3 — CID 11116481

IUPAC2-(2-oxocyclopentyl)ethyl acetate
SMILESCC(=O)OCCC1CCCC1=O
InChIInChI=1S/C9H14O3/c1-7(10)12-6-5-8-3-2-4-9(8)11/h8H,2-6H2,1H3
InChIKeyJMHXYYBZNNOEBD-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds3

About 2-(2-oxocyclopentyl)ethyl acetate

2-(2-oxocyclopentyl)ethyl acetate (PubChem CID 11116481) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-oxocyclopentyl)ethyl acetate.

Molecular Properties

Compound Name2-(2-oxocyclopentyl)ethyl acetate
PubChem CID11116481
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(2-oxocyclopentyl)ethyl acetate
SMILESCC(=O)OCCC1CCCC1=O
InChIInChI=1S/C9H14O3/c1-7(10)12-6-5-8-3-2-4-9(8)11/h8H,2-6H2,1H3
InChIKeyJMHXYYBZNNOEBD-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
Ethyl 2-oxocyclopentanecarboxylate
CID 69136
Ethyl cyclopentanecarboxylate
CID 79550
2(3H)-Furanone, 3-heptyldihydro-
CID 102914
Ethyl 3-oxocyclopentanecarboxylate
CID 223136
Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate
CID 252487
Oryctalure
CID 92058

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclopentyl)ethyl acetate?
The IUPAC name of 2-(2-oxocyclopentyl)ethyl acetate (CID 11116481) is 2-(2-oxocyclopentyl)ethyl acetate.
What is the SMILES notation for 2-(2-oxocyclopentyl)ethyl acetate?
The canonical SMILES for 2-(2-oxocyclopentyl)ethyl acetate is CC(=O)OCCC1CCCC1=O.
What is the InChIKey of 2-(2-oxocyclopentyl)ethyl acetate?
The InChIKey is JMHXYYBZNNOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(10)12-6-5-8-3-2-4-9(8)11/h8H,2-6H2,1H3.
What are the key properties of 2-(2-oxocyclopentyl)ethyl acetate?
2-(2-oxocyclopentyl)ethyl acetate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclopentyl)ethyl acetate is sourced from PubChem (CID 11116481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).