ethyl 3-(5-oxo-2H-furan-4-yl)propanoate

C9H12O4 — CID 14441089

IUPACethyl 3-(5-oxo-2H-furan-4-yl)propanoate
SMILESCCOC(=O)CCC1=CCOC1=O
InChIInChI=1S/C9H12O4/c1-2-12-8(10)4-3-7-5-6-13-9(7)11/h5H,2-4,6H2,1H3
InChIKeyUHDQBEOBZXRIOI-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.81
Rot. Bonds4

About ethyl 3-(5-oxo-2H-furan-4-yl)propanoate

ethyl 3-(5-oxo-2H-furan-4-yl)propanoate (PubChem CID 14441089) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 3-(5-oxo-2H-furan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-oxo-2H-furan-4-yl)propanoate
PubChem CID14441089
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Nameethyl 3-(5-oxo-2H-furan-4-yl)propanoate
SMILESCCOC(=O)CCC1=CCOC1=O
InChIInChI=1S/C9H12O4/c1-2-12-8(10)4-3-7-5-6-13-9(7)11/h5H,2-4,6H2,1H3
InChIKeyUHDQBEOBZXRIOI-UHFFFAOYSA-N
XLogP0.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-oxo-2H-furan-4-yl)propanoate?
The IUPAC name of ethyl 3-(5-oxo-2H-furan-4-yl)propanoate (CID 14441089) is ethyl 3-(5-oxo-2H-furan-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-oxo-2H-furan-4-yl)propanoate?
The canonical SMILES for ethyl 3-(5-oxo-2H-furan-4-yl)propanoate is CCOC(=O)CCC1=CCOC1=O.
What is the InChIKey of ethyl 3-(5-oxo-2H-furan-4-yl)propanoate?
The InChIKey is UHDQBEOBZXRIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-2-12-8(10)4-3-7-5-6-13-9(7)11/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 3-(5-oxo-2H-furan-4-yl)propanoate?
ethyl 3-(5-oxo-2H-furan-4-yl)propanoate has a molecular weight of 184.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-oxo-2H-furan-4-yl)propanoate is sourced from PubChem (CID 14441089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).