(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one

C7H8O4 — CID 131750886

IUPAC(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one
SMILESO=C1O/C(=C/CO)C=C1CO
InChIInChI=1S/C7H8O4/c8-2-1-6-3-5(4-9)7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
InChIKeyLYJDVGNTDYPSTE-LZCJLJQNSA-N
MW156.14 g/mol
LogP-0.66
Rot. Bonds2

About (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one

(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one (PubChem CID 131750886) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one.

Molecular Properties

Compound Name(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one
PubChem CID131750886
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one
SMILESO=C1O/C(=C/CO)C=C1CO
InChIInChI=1S/C7H8O4/c8-2-1-6-3-5(4-9)7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
InChIKeyLYJDVGNTDYPSTE-LZCJLJQNSA-N
XLogP-0.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one?
The IUPAC name of (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one (CID 131750886) is (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one.
What is the SMILES notation for (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one?
The canonical SMILES for (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one is O=C1O/C(=C/CO)C=C1CO.
What is the InChIKey of (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one?
The InChIKey is LYJDVGNTDYPSTE-LZCJLJQNSA-N. The full InChI is InChI=1S/C7H8O4/c8-2-1-6-3-5(4-9)7(10)11-6/h1,3,8-9H,2,4H2/b6-1+.
What are the key properties of (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one?
(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one has a molecular weight of 156.14 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one is sourced from PubChem (CID 131750886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).