(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one

C11H12O4 — CID 6433948

IUPAC(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
SMILESO=C1O/C(=C/C=C/CO)C=C1/C=C/CO
InChIInChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5+
InChIKeyZYNGLDJNLYFSIV-ALNAOYBLSA-N
MW208.21 g/mol
LogP0.45
Rot. Bonds4

About (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one

(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one (PubChem CID 6433948) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
PubChem CID6433948
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
SMILESO=C1O/C(=C/C=C/CO)C=C1/C=C/CO
InChIInChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5+
InChIKeyZYNGLDJNLYFSIV-ALNAOYBLSA-N
XLogP0.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
The IUPAC name of (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one (CID 6433948) is (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one.
What is the SMILES notation for (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
The canonical SMILES for (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one is O=C1O/C(=C/C=C/CO)C=C1/C=C/CO.
What is the InChIKey of (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
The InChIKey is ZYNGLDJNLYFSIV-ALNAOYBLSA-N. The full InChI is InChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5+.
What are the key properties of (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one?
(5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one has a molecular weight of 208.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one is sourced from PubChem (CID 6433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).