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

C10H14O5 — CID 10856841

IUPACethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate
SMILESCCOC(=O)CC1OC(=O)C(O)=C1CC
InChIInChI=1S/C10H14O5/c1-3-6-7(5-8(11)14-4-2)15-10(13)9(6)12/h7,12H,3-5H2,1-2H3
InChIKeyJFHGNVVRFMTLGO-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.09
Rot. Bonds4

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

ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate (PubChem CID 10856841) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate
PubChem CID10856841
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate
SMILESCCOC(=O)CC1OC(=O)C(O)=C1CC
InChIInChI=1S/C10H14O5/c1-3-6-7(5-8(11)14-4-2)15-10(13)9(6)12/h7,12H,3-5H2,1-2H3
InChIKeyJFHGNVVRFMTLGO-UHFFFAOYSA-N
XLogP1.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate (CID 10856841) is ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate is CCOC(=O)CC1OC(=O)C(O)=C1CC.
What is the InChIKey of ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate?
The InChIKey is JFHGNVVRFMTLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-6-7(5-8(11)14-4-2)15-10(13)9(6)12/h7,12H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate?
ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate has a molecular weight of 214.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetate is sourced from PubChem (CID 10856841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).