ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate

C14H24O3 — CID 15452634

IUPACethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
SMILESCCCCCC1C(=O)CCC1CC(=O)OCC
InChIInChI=1S/C14H24O3/c1-3-5-6-7-12-11(8-9-13(12)15)10-14(16)17-4-2/h11-12H,3-10H2,1-2H3
InChIKeyDEZUCQSGCORLSM-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.12
Rot. Bonds7

About ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate

ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate (PubChem CID 15452634) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
PubChem CID15452634
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
SMILESCCCCCC1C(=O)CCC1CC(=O)OCC
InChIInChI=1S/C14H24O3/c1-3-5-6-7-12-11(8-9-13(12)15)10-14(16)17-4-2/h11-12H,3-10H2,1-2H3
InChIKeyDEZUCQSGCORLSM-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
The IUPAC name of ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate (CID 15452634) is ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate is CCCCCC1C(=O)CCC1CC(=O)OCC.
What is the InChIKey of ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
The InChIKey is DEZUCQSGCORLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-5-6-7-12-11(8-9-13(12)15)10-14(16)17-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate?
ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate has a molecular weight of 240.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate is sourced from PubChem (CID 15452634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).