ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate

C8H10O4 — CID 11571862

IUPACethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)C1=COCC1
InChIInChI=1S/C8H10O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h5H,2-4H2,1H3
InChIKeyLNIOLRGPCMYXIC-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.42
Rot. Bonds3

About ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate

ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate (PubChem CID 11571862) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate
PubChem CID11571862
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Nameethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)C1=COCC1
InChIInChI=1S/C8H10O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h5H,2-4H2,1H3
InChIKeyLNIOLRGPCMYXIC-UHFFFAOYSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,3-dihydrofuran-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate (CID 11571862) is ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate is CCOC(=O)C(=O)C1=COCC1.
What is the InChIKey of ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate?
The InChIKey is LNIOLRGPCMYXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate?
ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate has a molecular weight of 170.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydrofuran-4-yl)-2-oxoacetate is sourced from PubChem (CID 11571862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).