(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one

C8H10O3 — CID 25244172

IUPAC(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one
SMILESCC/C=C1/OC(C)=C(O)C1=O
InChIInChI=1S/C8H10O3/c1-3-4-6-8(10)7(9)5(2)11-6/h4,9H,3H2,1-2H3/b6-4+
InChIKeyJPLUXSIYIQGVTD-GQCTYLIASA-N
MW154.16 g/mol
LogP1.67
Rot. Bonds1

About (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one

(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one (PubChem CID 25244172) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one.

Molecular Properties

Compound Name(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one
PubChem CID25244172
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one
SMILESCC/C=C1/OC(C)=C(O)C1=O
InChIInChI=1S/C8H10O3/c1-3-4-6-8(10)7(9)5(2)11-6/h4,9H,3H2,1-2H3/b6-4+
InChIKeyJPLUXSIYIQGVTD-GQCTYLIASA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one?
The IUPAC name of (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one (CID 25244172) is (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one.
What is the SMILES notation for (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one?
The canonical SMILES for (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one is CC/C=C1/OC(C)=C(O)C1=O.
What is the InChIKey of (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one?
The InChIKey is JPLUXSIYIQGVTD-GQCTYLIASA-N. The full InChI is InChI=1S/C8H10O3/c1-3-4-6-8(10)7(9)5(2)11-6/h4,9H,3H2,1-2H3/b6-4+.
What are the key properties of (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one?
(2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one has a molecular weight of 154.16 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-hydroxy-5-methyl-2-propylidenefuran-3-one is sourced from PubChem (CID 25244172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).