(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate

C11H12O5 — CID 24838300

IUPAC(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate
SMILESCCCC(=O)OC1OCC=C2OC(=O)C=C21
InChIInChI=1S/C11H12O5/c1-2-3-9(12)16-11-7-6-10(13)15-8(7)4-5-14-11/h4,6,11H,2-3,5H2,1H3
InChIKeyMOKWYGZFEYNZIW-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.05
Rot. Bonds3

About (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate

(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate (PubChem CID 24838300) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate.

Molecular Properties

Compound Name(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate
PubChem CID24838300
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate
SMILESCCCC(=O)OC1OCC=C2OC(=O)C=C21
InChIInChI=1S/C11H12O5/c1-2-3-9(12)16-11-7-6-10(13)15-8(7)4-5-14-11/h4,6,11H,2-3,5H2,1H3
InChIKeyMOKWYGZFEYNZIW-UHFFFAOYSA-N
XLogP1.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate?
The IUPAC name of (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate (CID 24838300) is (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate.
What is the SMILES notation for (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate?
The canonical SMILES for (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate is CCCC(=O)OC1OCC=C2OC(=O)C=C21.
What is the InChIKey of (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate?
The InChIKey is MOKWYGZFEYNZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-3-9(12)16-11-7-6-10(13)15-8(7)4-5-14-11/h4,6,11H,2-3,5H2,1H3.
What are the key properties of (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate?
(2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate has a molecular weight of 224.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) butanoate is sourced from PubChem (CID 24838300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).