ethyl 2-cyclopentyl-2-oxoacetate

C9H14O3 — CID 10953950

IUPACethyl 2-cyclopentyl-2-oxoacetate
SMILESCCOC(=O)C(=O)C1CCCC1
InChIInChI=1S/C9H14O3/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyWOJWUNMAGJRHCD-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-cyclopentyl-2-oxoacetate

ethyl 2-cyclopentyl-2-oxoacetate (PubChem CID 10953950) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-2-oxoacetate
PubChem CID10953950
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-cyclopentyl-2-oxoacetate
SMILESCCOC(=O)C(=O)C1CCCC1
InChIInChI=1S/C9H14O3/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyWOJWUNMAGJRHCD-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

Computed Properties (RDKit)

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

Analyze ethyl 2-cyclopentyl-2-oxoacetate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate
CID 252487
Ethyl cyclopentylacetate
CID 247667
Ethyl 2-(2-oxocyclopentyl)acetate
CID 2723663
Ethylcyclohexyl(oxo)acetate
CID 11041407
Methyl 2-(2-oxocyclopentyl)acetate
CID 11217375
Methyl 2-cyclopentylacetate
CID 12512040
Ethyl 3-cyclopentylpropanoate
CID 519495
Methyl 3-(3-oxocyclopentyl)propanoate
CID 301170
1-Cyclopentyl-2-methoxyethan-1-one
CID 13108541
Ethyl 4-cyclopentyl-2,4-dioxobutanoate
CID 59817645
Ethyl 3-cyclohexyl-2-oxopropanoate
CID 316609
Ethanone, 2-(acetyloxy)-1-cyclohexyl-
CID 4318486

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-2-oxoacetate?
The IUPAC name of ethyl 2-cyclopentyl-2-oxoacetate (CID 10953950) is ethyl 2-cyclopentyl-2-oxoacetate.
What is the SMILES notation for ethyl 2-cyclopentyl-2-oxoacetate?
The canonical SMILES for ethyl 2-cyclopentyl-2-oxoacetate is CCOC(=O)C(=O)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentyl-2-oxoacetate?
The InChIKey is WOJWUNMAGJRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-cyclopentyl-2-oxoacetate?
ethyl 2-cyclopentyl-2-oxoacetate 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 ethyl 2-cyclopentyl-2-oxoacetate is sourced from PubChem (CID 10953950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).