ethyl 7-(2-oxocyclopentyl)heptanoate

C14H24O3 — CID 558615

IUPACethyl 7-(2-oxocyclopentyl)heptanoate
SMILESCCOC(=O)CCCCCCC1CCCC1=O
InChIInChI=1S/C14H24O3/c1-2-17-14(16)11-6-4-3-5-8-12-9-7-10-13(12)15/h12H,2-11H2,1H3
InChIKeyFNXKYPCEPBQWRZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.26
Rot. Bonds8

About ethyl 7-(2-oxocyclopentyl)heptanoate

ethyl 7-(2-oxocyclopentyl)heptanoate (PubChem CID 558615) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 7-(2-oxocyclopentyl)heptanoate.

Molecular Properties

Compound Nameethyl 7-(2-oxocyclopentyl)heptanoate
PubChem CID558615
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 7-(2-oxocyclopentyl)heptanoate
SMILESCCOC(=O)CCCCCCC1CCCC1=O
InChIInChI=1S/C14H24O3/c1-2-17-14(16)11-6-4-3-5-8-12-9-7-10-13(12)15/h12H,2-11H2,1H3
InChIKeyFNXKYPCEPBQWRZ-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.26
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 ethyl 7-(2-oxocyclopentyl)heptanoate?
The IUPAC name of ethyl 7-(2-oxocyclopentyl)heptanoate (CID 558615) is ethyl 7-(2-oxocyclopentyl)heptanoate.
What is the SMILES notation for ethyl 7-(2-oxocyclopentyl)heptanoate?
The canonical SMILES for ethyl 7-(2-oxocyclopentyl)heptanoate is CCOC(=O)CCCCCCC1CCCC1=O.
What is the InChIKey of ethyl 7-(2-oxocyclopentyl)heptanoate?
The InChIKey is FNXKYPCEPBQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-17-14(16)11-6-4-3-5-8-12-9-7-10-13(12)15/h12H,2-11H2,1H3.
What are the key properties of ethyl 7-(2-oxocyclopentyl)heptanoate?
ethyl 7-(2-oxocyclopentyl)heptanoate has a molecular weight of 240.34 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2-oxocyclopentyl)heptanoate is sourced from PubChem (CID 558615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).