5-(2-oxocyclopentyl)pentyl acetate

C12H20O3 — CID 13131530

IUPAC5-(2-oxocyclopentyl)pentyl acetate
SMILESCC(=O)OCCCCCC1CCCC1=O
InChIInChI=1S/C12H20O3/c1-10(13)15-9-4-2-3-6-11-7-5-8-12(11)14/h11H,2-9H2,1H3
InChIKeyACIMWQBYZBLUFV-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.48
Rot. Bonds6

About 5-(2-oxocyclopentyl)pentyl acetate

5-(2-oxocyclopentyl)pentyl acetate (PubChem CID 13131530) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(2-oxocyclopentyl)pentyl acetate.

Molecular Properties

Compound Name5-(2-oxocyclopentyl)pentyl acetate
PubChem CID13131530
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-(2-oxocyclopentyl)pentyl acetate
SMILESCC(=O)OCCCCCC1CCCC1=O
InChIInChI=1S/C12H20O3/c1-10(13)15-9-4-2-3-6-11-7-5-8-12(11)14/h11H,2-9H2,1H3
InChIKeyACIMWQBYZBLUFV-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxocyclopentyl)pentyl acetate?
The IUPAC name of 5-(2-oxocyclopentyl)pentyl acetate (CID 13131530) is 5-(2-oxocyclopentyl)pentyl acetate.
What is the SMILES notation for 5-(2-oxocyclopentyl)pentyl acetate?
The canonical SMILES for 5-(2-oxocyclopentyl)pentyl acetate is CC(=O)OCCCCCC1CCCC1=O.
What is the InChIKey of 5-(2-oxocyclopentyl)pentyl acetate?
The InChIKey is ACIMWQBYZBLUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(13)15-9-4-2-3-6-11-7-5-8-12(11)14/h11H,2-9H2,1H3.
What are the key properties of 5-(2-oxocyclopentyl)pentyl acetate?
5-(2-oxocyclopentyl)pentyl acetate has a molecular weight of 212.29 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxocyclopentyl)pentyl acetate is sourced from PubChem (CID 13131530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).